data_1gwp_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 1gwp _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.0 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' ' 58' ' ' THR . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' LYS . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' VAL . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 59' ' ' VAL . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.543 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.693 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE1' ' CD1' ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.481 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD2' HD11 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 107' ' ' THR . 1.2 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.575 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 102' ' ' SER . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 103' ' ' ASP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.513 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 115' ' ' ILE . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLY . 5.8 m-70 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' HD13 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 54' ' ' THR . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' TRP . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.537 HD11 ' CH2' ' A' ' 133' ' ' TRP . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.607 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.607 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 41' ' ' SER . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.43 ' N ' HG22 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.445 HD12 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 14' ' ' ALA . 24.5 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 30' ' ' LYS . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 141' ' ' ILE . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.547 ' CE ' ' CD1' ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.466 ' CG ' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.539 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.445 ' CE ' HD12 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.489 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 136' ' ' LEU . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.657 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.434 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 58' ' ' THR . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' TRP . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CE2' ' CD2' ' A' ' 138' ' ' LEU . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.666 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.413 ' HE2' ' CD1' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' CD1' ' HE2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 130' ' ' TYR . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.451 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.543 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' CD1' ' CD1' ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.422 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 2.1 m-70 -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.457 ' HE3' ' CE ' ' A' ' 144' ' ' MET . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.506 ' CG2' HG21 ' A' ' 126' ' ' VAL . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.601 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.506 HG21 ' CG2' ' A' ' 104' ' ' ILE . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.457 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' CD2' HD12 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 15' ' ' ILE . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 58' ' ' THR . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' LYS . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE1' ' CD1' ' A' ' 43' ' ' LEU . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 56' ' ' LEU . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 50' ' ' GLN . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 23' ' ' TRP . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 40' ' ' PHE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.454 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' OE1' ' CD1' ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.453 ' CD1' HG23 ' A' ' 129' ' ' ILE . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' ILE . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.47 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 118' ' ' MET . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.457 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 56' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.495 ' CD1' ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.472 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 58' ' ' THR . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.425 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.486 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.408 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 10.3 m-70 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' OE2' ' CD1' ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.472 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 113' ' ' GLU . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.466 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.544 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.48 HG22 ' CD2' ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.492 ' CD1' ' OE2' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.423 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 33' ' ' SER . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 2' ' ' ILE . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' ALA . 12.0 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 54' ' ' THR . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 58' ' ' THR . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' LYS . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 130' ' ' TYR . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.473 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.539 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.474 HG22 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.445 ' HE2' ' CE ' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.473 ' CG ' HD12 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' CB ' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.433 ' NE2' ' CG2' ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 103' ' ' ASP . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 2.0 t-80 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 118' ' ' MET . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' HD11 ' A' ' 52' ' ' LEU . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.544 ' CH2' ' CB ' ' A' ' 77' ' ' ALA . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.481 HD12 ' CD1' ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' HE2' ' A' ' 68' ' ' MET . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' HD12 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.58 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' O ' HG21 ' A' ' 104' ' ' ILE . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 113' ' ' GLU . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.411 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.457 ' CB ' HG23 ' A' ' 48' ' ' THR . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 54' ' ' THR . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 58' ' ' THR . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 ' CE ' ' A' ' 39' ' ' MET . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 59' ' ' VAL . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.666 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' CE ' HG22 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.468 ' CA ' HD12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.536 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 129' ' ' ILE . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.447 HD23 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.701 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 56' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.468 HD12 ' CA ' ' A' ' 41' ' ' SER . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 69' ' ' LEU . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.463 HG22 ' CD1' ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.507 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 54' ' ' THR . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.671 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.507 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CH2' ' OD2' ' A' ' 103' ' ' ASP . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CA ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 118' ' ' MET . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.525 ' CD1' ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.478 ' CD1' ' CE ' ' A' ' 118' ' ' MET . 12.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CZ2' HG23 ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' TRP . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' CA ' HD11 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.463 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.431 HG21 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.436 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.445 ' CG2' HG21 ' A' ' 126' ' ' VAL . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 119' ' ' THR . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' CZ3' ' HB3' ' A' ' 103' ' ' ASP . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.478 ' CE ' ' CD1' ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.474 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.55 ' CD2' HD13 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 54' ' ' THR . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 20' ' ' LEU . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.564 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.544 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.538 HD11 ' CH2' ' A' ' 133' ' ' TRP . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.55 HD13 ' CD2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 49' ' ' PRO . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.57 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 118' ' ' MET . 25.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.502 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 4.9 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.734 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' TRP . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.554 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.45 ' CE ' HG23 ' A' ' 26' ' ' VAL . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.502 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.494 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CH2' ' OD2' ' A' ' 103' ' ' ASP . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.477 ' HE1' ' CD1' ' A' ' 2' ' ' ILE . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 130' ' ' TYR . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.521 ' CE2' HG21 ' A' ' 129' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 32' ' ' PHE . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.551 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.2 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 20' ' ' LEU . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 54' ' ' THR . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CZ2' HG23 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 58' ' ' THR . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' TRP . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.568 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CA ' HG12 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.671 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.55 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.592 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.471 ' CG ' HG23 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 123' ' ' PRO . 1.4 t-80 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.409 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.514 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.502 ' CG1' ' SD ' ' A' ' 118' ' ' MET . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.534 ' CG2' ' CE2' ' A' ' 133' ' ' TRP . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.592 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.424 HG12 ' CA ' ' A' ' 34' ' ' PRO . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' HD13 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 15' ' ' ILE . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.566 HG23 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.694 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.453 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' CA ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.652 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD13 ' CE2' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.464 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 130' ' ' TYR . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.483 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.457 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.443 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 115' ' ' ILE . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.49 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.425 HD12 ' CA ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.442 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CB ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.445 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.2 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 54' ' ' THR . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.664 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE2' ' HE1' ' A' ' 55' ' ' MET . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD13 ' CE ' ' A' ' 39' ' ' MET . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.573 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.522 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.609 ' CD2' ' CB ' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.573 ' HG3' ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.412 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ3' ' HB3' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.454 ' SD ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 25.6 t-80 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.454 ' CG1' ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.563 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 76' ' ' GLU . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.438 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.422 ' NE2' HD23 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 9.5 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 HD12 ' CG2' ' A' ' 54' ' ' THR . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 58' ' ' THR . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' TRP . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.475 ' HE2' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.456 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.458 ' CE ' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.517 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 126' ' ' VAL . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 103' ' ' ASP . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.422 HD23 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.414 ' O ' ' OG1' ' A' ' 119' ' ' THR . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CH2' ' OD1' ' A' ' 103' ' ' ASP . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 115' ' ' ILE . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.517 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.434 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.458 ' HG2' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.452 HD11 ' CE ' ' A' ' 118' ' ' MET . 11.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.2 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CA ' ' OD2' ' A' ' 51' ' ' ASP . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG2' HG21 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CE2' ' CD2' ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.676 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' HG22 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' CE ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.551 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 130' ' ' TYR . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.571 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 6.1 m-70 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.47 ' HE3' ' CE ' ' A' ' 144' ' ' MET . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' CG ' HD12 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.434 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.487 ' CG ' HG23 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.405 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CZ3' ' HB3' ' A' ' 103' ' ' ASP . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 2' ' ' ILE . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 126' ' ' VAL . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.406 ' C ' HD11 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.575 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.47 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.467 HG13 ' CB ' ' A' ' 41' ' ' SER . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.615 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 32' ' ' PHE . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.47 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 118' ' ' MET . 20.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.416 ' NE2' HD23 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.659 ' C ' ' CD1' ' A' ' 32' ' ' PHE . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' CH2' ' A' ' 23' ' ' TRP . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 55' ' ' MET . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.446 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.563 ' CD2' ' CE1' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.416 HD23 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.468 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.589 ' CE3' ' CG ' ' A' ' 103' ' ' ASP . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 115' ' ' ILE . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 37' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.475 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 37' ' ' ILE . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.468 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CD2' HD12 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 28.8 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 54' ' ' THR . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.602 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' TRP . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.403 ' HE2' ' CG2' ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.424 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' CE1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.579 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.452 ' CG2' HG22 ' A' ' 126' ' ' VAL . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.463 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.426 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.444 ' CG1' ' OG ' ' A' ' 41' ' ' SER . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 69' ' ' LEU . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.401 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 3' ' ' VAL . 6.8 mt -111.66 143.43 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 2' ' ' ILE . 27.0 m -135.93 163.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 8.9 mt-30 -103.57 122.28 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' GLN . 17.2 m-80 -49.16 177.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -44.98 16.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -60.89 -60.67 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.47 76.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -160.4 157.74 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.446 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.84 121.78 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' ND2' ' A' ' 5' ' ' ASN . 25.0 m -140.94 154.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.0 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' ' 58' ' ' THR . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' LYS . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' VAL . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 59' ' ' VAL . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.543 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.693 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE1' ' CD1' ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.481 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD2' HD11 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -43.81 89.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mt -71.12 -79.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -93.1 111.85 53.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.06 2.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 ' HB ' ' NE ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -176.81 131.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -110.11 96.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -127.79 -139.04 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.89 41.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.447 HD11 ' CD ' ' A' ' 97' ' ' ARG . 2.1 tt -162.65 128.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.437 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -40.2 154.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.01 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.29 -1.74 6.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.437 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 7.1 mm-40 -82.05 132.22 35.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 0.1 OUTLIER -71.68 155.74 40.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' CD ' HD11 ' A' ' 91' ' ' ILE . 6.3 ttp85 -129.97 167.55 18.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HB3' ' NH2' ' A' ' 100' ' ' ARG . 4.7 mt-10 -125.17 93.32 45.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.454 ' CG ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.02 51.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 84' ' ' HIS . 6.0 mmp_? 45.71 -173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -43.41 -39.35 4.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 107' ' ' THR . 1.2 m -40.53 -30.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.575 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 102' ' ' SER . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.454 HG22 ' CG ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 103' ' ' ASP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 114' ' ' GLN . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.513 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 115' ' ' ILE . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 5.8 m-70 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.575 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -52.48 -49.84 63.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.5 t -80.5 140.45 51.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 148' ' ' THR . 18.2 Cg_endo -75.0 71.22 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 147' ' ' PRO . 9.7 t 32.99 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -109.83 77.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.0 pp -104.13 177.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -105.72 138.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.415 HG22 ' NE2' ' A' ' 13' ' ' GLN . 11.4 m -136.8 164.82 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -95.95 125.27 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.38 172.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -48.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -67.41 -54.99 15.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 80.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -164.48 123.79 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.56 121.53 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -149.83 154.92 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' HD13 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' NE2' HG22 ' A' ' 3' ' ' VAL . 4.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 54' ' ' THR . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' TRP . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.459 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -56.67 -46.94 80.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.1 -87.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.566 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -115.63 90.05 24.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.6 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 7.3 p -83.41 87.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 176.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.25 75.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.95 106.8 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 86.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 97' ' ' ARG . 64.7 mt -76.84 149.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.44 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . . . -65.83 154.6 88.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.98 -2.13 5.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.44 ' CG ' ' HB2' ' A' ' 92' ' ' ALA . 23.5 mm-40 -94.93 146.46 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.604 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -42.28 165.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.382 1.051 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -97.3 -178.98 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 1.2 tt0 -116.93 80.22 10.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 157.83 42.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -63.32 -147.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.44 -24.75 60.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -26.26 22.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.537 HD11 ' CH2' ' A' ' 133' ' ' TRP . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.607 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.607 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 41' ' ' SER . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.43 ' N ' HG22 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -51.21 -48.72 61.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.4 p 39.21 66.77 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.063 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.8 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.2 t -173.38 61.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.4 t -129.3 170.65 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.5 tt -149.67 168.2 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.445 HD12 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt -100.84 148.81 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.514 ' CG2' ' NE2' ' A' ' 13' ' ' GLN . 12.0 m -146.36 163.0 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 24.0 tt0 -104.17 114.42 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' ND2' HG23 ' A' ' 11' ' ' VAL . 15.8 m-80 -45.45 169.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.08 -54.75 18.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -54.18 -60.94 2.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.23 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -149.46 123.02 9.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 116.26 18.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 HG23 ' ND2' ' A' ' 5' ' ' ASN . 34.1 m -141.72 154.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' NE2' ' CG2' ' A' ' 3' ' ' VAL . 24.5 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 30' ' ' LYS . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CD2' HG23 ' A' ' 141' ' ' ILE . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.547 ' CE ' ' CD1' ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.466 ' CG ' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -32.63 70.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.49 -81.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -75.7 114.07 32.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.19 39.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 38.6 t -153.05 115.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -152.43 52.87 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.626 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 40.47 83.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.71 -141.47 9.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 149.15 36.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 96' ' ' MET . 4.9 tt -172.39 159.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.54 154.29 76.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 85.16 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.04 -1.4 5.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.04 148.54 26.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.651 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -58.14 159.15 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -179.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 6.0 tp10 -124.14 74.16 58.32 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' CB ' ' HB2' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.03 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.454 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 3.5 mtm105 -122.48 -91.68 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -108.85 -49.52 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -41.78 -28.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.539 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.651 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.445 ' CE ' HD12 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.58 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.489 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 136' ' ' LEU . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.657 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.434 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.12 43.08 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -92.17 112.38 54.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.35 9.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.9 m -53.72 150.03 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.9 t 60.59 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.61 127.86 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.27 152.26 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.64 163.93 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 27.8 tt0 -108.19 121.11 44.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLN . 9.2 m-80 -48.8 176.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.88 -44.94 14.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.21 74.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.98 157.63 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mmt -107.27 123.11 47.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m -137.94 154.27 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 58' ' ' THR . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' TRP . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CE2' ' CD2' ' A' ' 138' ' ' LEU . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.666 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.413 ' HE2' ' CD1' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' CD1' ' HE2' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 130' ' ' TYR . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.451 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.543 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' CD1' ' CD1' ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 2.1 m-70 -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.457 ' HE3' ' CE ' ' A' ' 144' ' ' MET . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' HIS . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -39.5 91.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.57 -67.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' TRP . 43.2 m-70 -69.77 152.46 96.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' C ' ' CG1' ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 85' ' ' PRO . 1.5 m 61.8 114.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.554 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -149.55 163.82 36.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 87' ' ' HIS . . . 46.06 93.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.74 113.63 1.85 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' CB ' HG22 ' A' ' 108' ' ' THR . 18.3 Cg_endo -74.96 54.6 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 47.94 -175.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.447 ' HB2' ' CG ' ' A' ' 95' ' ' GLN . . . -90.1 154.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.98 -1.07 6.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 92' ' ' ALA . 10.4 mm-40 -106.1 144.55 32.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.527 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 2.3 ttt -123.65 103.85 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.21 -179.65 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.16 116.18 10.88 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.96 153.84 42.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.419 HH21 ' N ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -101.57 30.1 4.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 89.29 -52.28 3.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 t -43.15 -39.47 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.506 ' CG2' HG21 ' A' ' 126' ' ' VAL . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.422 HG22 ' CB ' ' A' ' 90' ' ' PRO . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.601 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' NE2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.506 HG21 ' CG2' ' A' ' 104' ' ' ILE . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.457 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.62 -50.69 62.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.5 p 39.35 66.25 3.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 179.17 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.7 t -150.21 59.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.2 107.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.6 tp -146.64 150.61 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 1.5 mt -117.02 154.23 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 2' ' ' ILE . 1.1 m -149.82 166.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -86.46 65.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.3 tp 83.32 -48.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 164.37 -24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 9' ' ' GLN . . . -44.48 -23.68 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 161.17 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.66 129.63 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.48 154.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' CD2' HD12 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 15' ' ' ILE . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 58' ' ' THR . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' LYS . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE1' ' CD1' ' A' ' 43' ' ' LEU . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 56' ' ' LEU . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 50' ' ' GLN . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.519 ' SD ' ' CD1' ' A' ' 23' ' ' TRP . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 40' ' ' PHE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.454 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' OE1' ' CD1' ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.57 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -37.59 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.18 -55.44 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -114.41 92.22 27.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 63.73 6.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' HB ' ' CG ' ' A' ' 100' ' ' ARG . 74.0 t -39.81 141.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.84 58.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.05 178.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.18 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.578 1.174 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 67.93 5.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 tt -90.92 137.13 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -60.49 153.07 62.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.99 -0.51 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.171 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -76.06 55.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 36.04 82.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 111.067 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttp-105 -104.77 149.53 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.2 114.31 8.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.05 151.34 39.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 86' ' ' VAL . 76.3 mtm180 -102.48 32.73 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 90.0 -53.15 3.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -45.76 -39.94 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.453 ' CD1' HG23 ' A' ' 129' ' ' ILE . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.559 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.47 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 118' ' ' MET . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.457 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.426 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 56' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.495 ' CD1' ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.53 -51.39 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 91.8 p 42.19 79.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.1 t -118.91 57.94 0.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.08 87.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt -135.1 129.83 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 3' ' ' VAL . 78.1 mt -114.83 150.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 2' ' ' ILE . 19.9 m -129.75 165.62 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.459 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 3.6 mt-30 -112.3 122.49 47.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -49.54 178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.71 -53.77 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.375 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -52.99 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 71.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -148.13 158.21 43.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.783 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.98 125.0 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.2 153.53 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.472 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 58' ' ' THR . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.425 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.486 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.408 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 10.3 m-70 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB1' ' CB ' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' OE2' ' CD1' ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.02 -38.53 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.41 -84.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -70.25 113.38 17.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.57 33.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.531 ' CG1' ' CG ' ' A' ' 100' ' ' ARG . 7.4 p -176.6 56.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.93 57.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.68 176.29 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.611 1.194 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.43 121.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.81 4.88 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tt -50.13 166.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -72.57 153.9 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 85.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.6 -1.28 5.99 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.433 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 1.7 mm-40 -82.57 138.02 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.542 ' HE1' ' CD1' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -58.61 143.15 47.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.27 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.357 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 117.11 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.244 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.1 139.64 24.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.531 ' CG ' ' CG1' ' A' ' 86' ' ' VAL . 14.3 mtm180 -93.29 35.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 104' ' ' ILE . . . 83.58 -46.69 3.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t -45.53 -40.07 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 101' ' ' GLY . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.472 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.542 ' CD1' ' HE1' ' A' ' 96' ' ' MET . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.466 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.544 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.48 HG22 ' CD2' ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.492 ' CD1' ' OE2' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.423 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 33' ' ' SER . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -54.0 -52.24 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.2 t 39.14 68.63 1.91 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.5 t -171.89 58.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -177.15 170.55 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.07 163.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt -90.82 153.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' N ' HG21 ' A' ' 2' ' ' ILE . 14.4 m -151.02 161.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -107.31 118.93 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.05 -57.64 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.48 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.21 62.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -138.12 156.4 47.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -107.85 116.95 32.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 11.5 m -151.22 155.03 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 2' ' ' ILE . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' ALA . 12.0 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 54' ' ' THR . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 58' ' ' THR . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' LYS . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 130' ' ' TYR . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.473 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.539 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.474 HG22 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.445 ' HE2' ' CE ' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' CG ' HD12 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' CB ' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -59.25 -42.55 91.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.43 -70.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -70.6 113.45 18.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 97.58 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 8.7 p -171.11 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -164.98 50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.63 -176.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.69 107.95 0.82 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.03 2.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.597 1.841 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 97' ' ' ARG . 88.1 mt -59.67 145.68 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' HB3' ' CG ' ' A' ' 95' ' ' GLN . . . -43.22 152.34 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 85.81 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.26 -2.66 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 92' ' ' ALA . 29.5 mm-40 -87.28 138.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 11.9 ttt -63.59 125.02 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 7.4 mtm180 -85.19 -176.94 6.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 3.4 pm0 -131.41 62.36 64.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.665 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -75.02 170.65 19.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.433 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 24.5 mmt180 -154.21 93.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . 129.48 -96.9 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -41.71 -43.23 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.468 HG23 ' CG2' ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.433 ' NE2' ' CG2' ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.665 ' CZ2' ' CG ' ' A' ' 99' ' ' PRO . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 2.0 t-80 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.433 HG12 ' CZ ' ' A' ' 100' ' ' ARG . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 118' ' ' MET . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' HD11 ' A' ' 52' ' ' LEU . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.544 ' CH2' ' CB ' ' A' ' 77' ' ' ALA . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.481 HD12 ' CD1' ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' HE2' ' A' ' 68' ' ' MET . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -54.08 -52.27 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.0 t 41.56 77.71 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -178.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.4 m -97.81 -60.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 56.0 p -166.72 117.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.2 mt 64.44 105.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 3' ' ' VAL . 40.0 mt -111.54 141.92 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' N ' HG21 ' A' ' 2' ' ' ILE . 22.6 m -130.52 165.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -96.59 132.0 42.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.2 174.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -49.7 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.07 -55.4 14.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.2 80.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -163.54 124.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mmt -69.56 128.59 37.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.07 155.13 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.532 ' CD2' HD12 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.58 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.11 -43.41 95.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 84' ' ' HIS . 4.6 pp -96.91 -9.54 28.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 83' ' ' LEU . 78.0 m-70 -116.9 97.28 50.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 142.36 27.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.432 1.754 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -99.55 75.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -93.96 87.55 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -146.63 101.92 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.04 -77.41 0.98 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 65.28 6.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.17 171.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -90.97 153.26 44.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.06 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.63 -1.93 6.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 9.1 mm-40 -90.71 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.577 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -67.14 163.07 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 99' ' ' PRO . 5.5 mtp180 -60.9 -177.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 7.8 mm-40 -132.03 63.0 67.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.02 169.26 23.0 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -133.95 -67.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -116.45 104.07 1.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.7 m 151.25 -54.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 100' ' ' ARG . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.1 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.577 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.411 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -53.08 -51.1 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.3 t 39.49 80.94 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 142.75 27.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 6.8 t -163.67 55.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.85 171.05 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.3 tt -94.37 141.21 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -106.62 145.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.406 HG23 ' NE2' ' A' ' 13' ' ' GLN . 16.8 m -135.74 161.89 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.47 122.52 47.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -49.73 177.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.6 -43.71 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -59.9 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.28 78.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.39 1.056 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -162.02 156.97 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -104.82 123.88 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -144.68 154.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.457 ' CB ' HG23 ' A' ' 48' ' ' THR . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' NE2' HG23 ' A' ' 3' ' ' VAL . 1.5 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 54' ' ' THR . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 58' ' ' THR . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 ' CE ' ' A' ' 39' ' ' MET . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CE1' HG23 ' A' ' 59' ' ' VAL . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.666 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' CE ' HG22 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.468 ' CA ' HD12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB3' ' CE ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.536 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -44.42 90.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.21 -48.09 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.417 ' CB ' ' HG3' ' A' ' 100' ' ' ARG . 8.6 m-70 -114.46 92.11 27.02 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.63 41.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.594 1.839 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.14 147.39 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -170.33 52.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.26 165.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.52 -84.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 69.37 5.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.41 159.98 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -70.81 154.53 94.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 86.18 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.78 -2.41 6.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 2.5 mm100 -84.29 161.19 20.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.672 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -106.42 147.15 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 1.8 ttm180 -66.18 173.21 3.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -134.42 62.17 53.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.143 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.4 Cg_endo -74.94 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' PRO . 3.4 mmt180 -36.55 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -134.81 158.94 23.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 2.6 t 94.97 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 129' ' ' ILE . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.447 HD23 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.672 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.42 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 1.1 m-70 -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.701 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 56' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.468 HD12 ' CA ' ' A' ' 41' ' ' SER . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 69' ' ' LEU . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.463 HG22 ' CD1' ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.72 -55.14 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 79.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 m -96.95 57.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -150.31 172.08 15.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 tt -94.35 149.0 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 3' ' ' VAL . 11.2 mt -117.8 138.09 49.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.425 ' N ' HG21 ' A' ' 2' ' ' ILE . 10.5 m -124.8 165.56 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' NE2' ' HE2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -103.37 120.01 39.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.419 ' ND2' HG23 ' A' ' 11' ' ' VAL . 10.5 p30 -84.17 139.72 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mp -41.95 -36.98 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -38.0 -37.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.71 47.03 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.41 148.78 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.408 ' HE2' ' NE2' ' A' ' 4' ' ' GLN . 0.9 OUTLIER -88.97 125.88 35.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG23 ' ND2' ' A' ' 5' ' ' ASN . 9.9 m -129.33 154.88 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.507 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 54' ' ' THR . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HG2' ' CB ' ' A' ' 33' ' ' SER . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.671 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -58.01 -39.37 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 79' ' ' GLU . 4.6 mt -68.22 -74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HB2' ' CD ' ' A' ' 100' ' ' ARG . 1.5 m-70 -92.46 122.8 63.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.426 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 18.1 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 100' ' ' ARG . 42.9 t -155.91 127.43 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -123.02 85.74 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.35 108.71 16.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -148.26 -88.32 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.29 2.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -139.26 166.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -81.65 154.24 70.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 86.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.23 -2.36 6.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 3.5 mm100 -85.99 143.39 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 0.73 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.649 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -76.82 153.12 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -68.1 -178.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 6.5 tt0 -133.6 62.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -74.97 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 28.2 mmt180 -123.01 -73.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -112.03 111.27 2.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.437 1.086 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.4 m 153.1 -55.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 100' ' ' ARG . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.507 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.649 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.544 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 2.6 m-70 -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.411 HD11 ' CA ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 118' ' ' MET . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.527 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.525 ' CD1' ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 146' ' ' SER . 1.1 m-85 -51.99 -50.53 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 145' ' ' TYR . 77.7 p 38.97 78.7 0.35 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.3 m -152.35 -58.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -146.33 122.49 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.058 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 12.5 tt -140.77 -52.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.478 ' CD1' ' CE ' ' A' ' 118' ' ' MET . 12.2 mt -95.85 145.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.402 ' N ' HG21 ' A' ' 2' ' ' ILE . 32.7 m -130.46 159.23 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -104.9 137.47 42.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -71.6 -168.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -32.0 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -173.37 32.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 28.05 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -158.99 159.05 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.51 134.49 34.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m -152.62 153.8 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.567 ' CZ2' HG23 ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' TRP . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' CA ' HD11 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.463 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.431 HG21 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -34.41 71.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.94 -51.54 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -115.09 90.68 24.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 108.37 2.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.02 106.61 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.22 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 86.91 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.56 168.42 22.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.78 -137.4 8.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' ILE . 18.1 Cg_endo -75.1 90.59 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' PRO . 97.0 mt -40.02 148.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.44 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -76.09 154.43 84.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.33 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.67 -2.48 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.44 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 10.9 mm-40 -90.52 -54.76 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.564 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER 66.18 147.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.41 179.75 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -81.81 116.35 62.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -74.97 166.47 29.15 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -115.6 32.78 5.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 86.86 -52.91 4.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -47.0 -29.87 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.931 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' GLY . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 119' ' ' THR . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.478 ' CE ' ' CD1' ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 114' ' ' GLN . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.53 34.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -120.66 77.88 29.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 149' ' ' SER . 13.0 t -116.12 154.51 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.3 OUTLIER -39.44 130.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -103.23 151.34 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.474 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -109.39 161.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -148.59 165.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -124.5 111.81 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.261 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLN . 16.0 m-80 -41.48 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -56.83 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.377 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.33 -62.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.5 67.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -146.94 123.16 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.36 130.35 35.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.93 154.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.55 ' CD2' HD13 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 54' ' ' THR . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' HG23 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.439 ' CE ' HG22 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 20' ' ' LEU . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.564 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.544 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -47.99 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.62 -71.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -98.55 109.16 51.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 162.71 36.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -176.23 138.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 146.26 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.29 143.6 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.06 -90.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.71 5.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 97' ' ' ARG . 14.9 mm -114.13 107.69 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -66.12 147.11 98.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 134.51 -5.74 4.52 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' HG2' ' N ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -89.8 159.12 17.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.644 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -94.65 121.59 36.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 91' ' ' ILE . 5.2 ptt-85 -111.09 179.25 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 9.2 mt-10 -119.0 79.68 17.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.6 Cg_endo -74.98 167.85 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 6.2 mtm105 -75.38 -168.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.43 58.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -51.34 -29.61 15.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 0.812 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.538 HD11 ' CH2' ' A' ' 133' ' ' TRP . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.55 HD13 ' CD2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 49' ' ' PRO . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.644 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.57 ' CG2' ' CZ2' ' A' ' 133' ' ' TRP . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 146' ' ' SER . 0.1 OUTLIER -84.17 -44.91 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.489 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.3 OUTLIER -38.3 -55.38 2.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.5 Cg_endo -74.97 128.89 11.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 49.3 m 67.52 -69.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 147' ' ' PRO . 7.6 t 68.96 134.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.4 tp -112.53 144.9 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 118' ' ' MET . 25.3 mt -101.55 141.96 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.85 166.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -86.36 138.47 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' ND2' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -143.63 -179.05 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' O ' ' CD ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 77.97 -56.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 167.22 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.73 32.22 0.15 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -121.92 122.9 40.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.0 tpp -79.08 131.61 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' CG2' ' ND2' ' A' ' 5' ' ' ASN . 13.2 m -147.21 156.16 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 4.9 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.734 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' TRP . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.554 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.45 ' CE ' HG23 ' A' ' 26' ' ' VAL . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.502 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -44.69 96.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.23 -81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 100' ' ' ARG . 5.7 m-70 -70.22 113.4 17.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.576 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.46 2.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 100' ' ' ARG . 88.7 t -95.25 113.25 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.37 73.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.32 163.1 18.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.24 -63.55 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 58.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.71 155.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.45 ' HB1' ' CG ' ' A' ' 95' ' ' GLN . . . -76.69 153.94 83.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.31 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.93 -4.31 5.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' CG ' ' HB1' ' A' ' 92' ' ' ALA . 23.6 mm-40 -76.72 136.43 39.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.595 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 3.1 ttt -53.91 118.59 4.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -100.86 169.46 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -130.25 67.57 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.2 Cg_endo -74.96 79.61 2.61 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.39 1.732 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.52 ' HG2' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -44.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 95.72 95.02 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 156.13 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.494 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.595 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.477 ' HE1' ' CD1' ' A' ' 2' ' ' ILE . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 130' ' ' TYR . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.521 ' CE2' HG21 ' A' ' 129' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 32' ' ' PHE . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 -80.46 -51.96 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t 39.41 79.72 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.26 27.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 t -172.7 58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 68.1 p 179.0 167.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.18 174.8 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt -113.98 150.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.57 162.18 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -106.65 119.01 38.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.401 1.063 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' GLN . 13.6 m-80 -49.87 178.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.49 -55.8 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -50.94 -62.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.92 67.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.83 157.75 44.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.48 120.64 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.81 154.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.551 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.2 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 20' ' ' LEU . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 54' ' ' THR . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.568 ' CZ2' HG23 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 58' ' ' THR . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' TRP . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.568 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CA ' HG12 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.671 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.55 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -57.23 -45.2 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt -69.58 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -116.12 87.7 20.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.411 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 18.2 Cg_endo -75.0 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.92 69.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -125.49 89.9 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 178.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.26 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.057 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.02 2.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.78 143.18 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.453 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -119.21 155.12 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.81 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.768 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.69 -1.88 5.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 13.8 mm-40 -93.36 156.14 16.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 18.7 ttt -70.72 105.97 3.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 27.2 mtp180 -69.08 170.04 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 60.2 mt-10 -136.08 61.19 38.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.02 143.31 28.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.43 131.11 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' HA3' ' CB ' ' A' ' 77' ' ' ALA . . . 110.28 -104.75 1.86 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -35.62 19.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.592 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.471 ' CG ' HG23 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 1.4 t-80 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.409 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.514 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.502 ' CG1' ' SD ' ' A' ' 118' ' ' MET . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.534 ' CG2' ' CE2' ' A' ' 133' ' ' TRP . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.592 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.424 HG12 ' CA ' ' A' ' 34' ' ' PRO . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.86 -50.8 63.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 t 39.09 66.85 2.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 171.71 17.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 t -168.33 57.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 t -174.68 171.1 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.48 173.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.43 158.25 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.0 m -152.35 166.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.12 110.63 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -74.08 138.42 43.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -43.06 -40.21 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.7 mp0 -37.59 -38.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.16 52.18 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -165.02 143.77 6.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.3 ttm -90.47 117.46 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -122.5 155.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' HD13 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 15' ' ' ILE . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.566 HG23 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.694 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.453 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' CA ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.652 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD13 ' CE2' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.464 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -56.57 -47.18 80.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.5 -80.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -117.61 89.04 31.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.546 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 99' ' ' PRO . 4.1 p -165.18 158.47 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 4.0 p80 -160.42 110.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.88 172.3 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.59 -142.46 13.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 97' ' ' ARG . 1.3 tt -110.4 136.64 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -43.65 153.46 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.78 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.56 -1.61 6.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 4.2 mm-40 -80.47 170.0 16.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.232 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 6.9 ttt -107.28 134.13 50.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -112.83 179.75 3.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.23 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.18 67.55 73.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.04 -174.68 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -76.19 -156.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -53.56 -34.71 50.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -39.5 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.58 ' O ' ' CD1' ' A' ' 130' ' ' TYR . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.483 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.457 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.635 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.443 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 115' ' ' ILE . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.588 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.49 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.425 HD12 ' CA ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.442 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CB ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.445 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER -71.91 -53.19 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t 40.43 81.96 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.48 9.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.6 t -96.66 66.66 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 m 62.65 150.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt 65.64 135.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm -100.63 150.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' CG2' ' NE2' ' A' ' 13' ' ' GLN . 2.5 m -140.3 159.13 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ASN . 3.0 pt20 -107.24 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' GLN . 18.3 m-80 -49.97 178.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.11 -55.23 5.08 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.45 71.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.591 1.182 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.7 157.01 42.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.36 117.64 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.38 154.09 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' NE2' ' CG2' ' A' ' 3' ' ' VAL . 3.2 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 54' ' ' THR . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.664 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.406 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE2' ' HE1' ' A' ' 55' ' ' MET . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD13 ' CE ' ' A' ' 39' ' ' MET . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.573 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.522 ' N ' ' CG1' ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' CD2' ' CB ' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' HG3' ' CD1' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -59.05 -40.41 85.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.52 -57.06 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 80' ' ' TRP . 86.3 m-70 -70.67 113.55 19.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 81.6 2.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 100' ' ' ARG . 3.1 p -165.11 124.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 88' ' ' ALA . 33.9 t-80 -166.44 161.74 16.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.658 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 87' ' ' HIS . . . 58.47 159.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.44 120.22 3.19 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.455 ' CD1' ' CB ' ' A' ' 97' ' ' ARG . 96.9 mt -92.44 154.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -66.67 153.73 92.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 86.23 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.1 -2.13 6.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 4.3 mm-40 -78.82 108.77 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.608 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 8.5 ttt -50.19 95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' CB ' ' CD1' ' A' ' 91' ' ' ILE . 4.8 ptp85 -94.17 169.4 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -65.36 118.17 47.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 117' ' ' TRP . 18.7 Cg_endo -74.97 60.35 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HD2' ' CG1' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -71.8 81.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 48.16 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.3 m 153.94 -57.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.412 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.608 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.454 ' SD ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 25.6 t-80 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.454 ' CG1' ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.563 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' CD1' ' HG3' ' A' ' 76' ' ' GLU . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.438 ' N ' HG22 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.544 HD13 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.72 -48.09 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.62 93.96 30.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.928 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.66 2.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.421 1.748 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 48.3 m 62.54 140.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.99 158.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.6 mm 64.65 113.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 mt -118.86 137.15 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.36 162.1 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 34.9 mt-30 -89.29 140.03 29.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -161.03 128.55 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER 73.4 122.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER 37.67 50.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 44.81 26.84 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 5.9 mt-30 -70.22 159.93 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.473 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -113.77 131.19 56.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.58 157.06 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.422 ' NE2' HD23 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 9.5 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD12 ' CG2' ' A' ' 54' ' ' THR . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 58' ' ' THR . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' TRP . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' ' HE2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' HE2' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.456 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.458 ' CE ' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.651 ' CD1' ' CD2' ' A' ' 84' ' ' HIS . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -44.28 97.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.07 -6.39 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CD2' ' CD1' ' A' ' 80' ' ' TRP . 92.9 m-70 -116.03 94.55 41.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.568 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 162.08 37.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.4 p -170.47 66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -139.93 56.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.65 91.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.73 84.61 0.29 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 99.5 mt -73.62 149.65 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.03 150.63 10.08 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 85.75 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.69 -0.73 6.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.613 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt 179.38 83.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.454 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 2.8 mtt180 -71.62 -179.54 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -134.21 62.67 57.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.0 53.05 3.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' CD ' ' HB3' ' A' ' 84' ' ' HIS . 8.5 mtt-85 -40.15 123.08 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 116.85 -111.89 2.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -41.11 -34.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 126' ' ' VAL . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 103' ' ' ASP . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.422 HD23 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.462 ' HG3' ' CG2' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.414 ' O ' ' OG1' ' A' ' 119' ' ' THR . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CH2' ' OD1' ' A' ' 103' ' ' ASP . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 115' ' ' ILE . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.517 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.434 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.458 ' HG2' ' CE ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER -77.84 -54.67 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t 39.36 84.03 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 167.04 27.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 m -136.72 -61.13 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.6 m -163.01 79.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.0 tt -96.92 -33.94 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.452 HD11 ' CE ' ' A' ' 118' ' ' MET . 11.8 mt -117.51 141.91 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.46 165.7 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 29.7 mt-30 -90.16 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -144.2 -173.6 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER 73.67 -56.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 165.92 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.43 30.4 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.61 155.7 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.445 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.88 131.67 54.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.12 155.74 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' NE2' ' CD2' ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.2 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CA ' ' OD2' ' A' ' 51' ' ' ASP . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG2' HG21 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CE2' ' CD2' ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG23 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.676 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' HG22 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' CE ' ' A' ' 55' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.551 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 130' ' ' TYR . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.571 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 65' ' ' ALA . 6.1 m-70 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.47 ' HE3' ' CE ' ' A' ' 144' ' ' MET . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.426 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' CG ' HD12 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -58.96 -39.94 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 mt -79.34 -80.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -70.62 116.33 44.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' CB ' ' HD2' ' A' ' 100' ' ' ARG . 1.1 p -168.23 177.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 130.85 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 71.91 171.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.62 -86.59 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.34 12.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.464 HD12 ' CB ' ' A' ' 97' ' ' ARG . 1.2 tt -116.54 169.96 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -98.44 153.39 38.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.35 -1.07 6.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.457 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 14.1 mm-40 -92.31 116.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.761 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.63 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt -86.71 65.9 9.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.056 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -81.01 177.86 8.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 18.8 tt0 -58.57 120.67 47.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HG3' ' CG ' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.04 90.11 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -85.21 82.37 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 41.88 98.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 157.82 -55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 ' HB ' ' CH2' ' A' ' 133' ' ' TRP . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.434 ' CD2' ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.46 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.487 ' CG ' HG23 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.405 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.63 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.452 ' CE ' HD11 ' A' ' 2' ' ' ILE . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 126' ' ' VAL . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.406 ' C ' HD11 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.575 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.47 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 HG13 ' CB ' ' A' ' 41' ' ' SER . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.615 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.473 HG23 ' CD2' ' A' ' 32' ' ' PHE . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.47 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.2 -50.82 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.7 t 39.38 69.66 1.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.437 1.756 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.4 m -138.99 153.29 48.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.0 m -47.36 118.38 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.943 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.9 mt -141.02 140.16 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 118' ' ' MET . 20.2 mt -116.81 140.03 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG1' ' NE2' ' A' ' 13' ' ' GLN . 21.0 m -134.08 163.47 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 19.8 tt0 -106.35 118.5 36.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' ND2' HG23 ' A' ' 11' ' ' VAL . 16.6 m-80 -49.1 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.31 -55.23 5.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -51.06 -62.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.79 70.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -148.91 157.69 43.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 117.76 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 HG23 ' ND2' ' A' ' 5' ' ' ASN . 33.8 m -141.44 153.85 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.416 ' NE2' HD23 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' NE2' ' CG1' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.659 ' C ' ' CD1' ' A' ' 32' ' ' PHE . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' CH2' ' A' ' 23' ' ' TRP . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 55' ' ' MET . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.446 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.434 ' CG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.563 ' CD2' ' CE1' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -58.95 -45.2 91.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -76.16 -45.91 31.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' CB ' ' HG2' ' A' ' 100' ' ' ARG . 19.8 m-70 -115.12 90.59 24.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.37 39.88 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' ' CD ' ' A' ' 100' ' ' ARG . 7.3 p -169.4 126.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.35 91.74 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.674 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.8 91.3 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.27 -69.83 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.35 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 92' ' ' ALA . 96.4 mt -132.13 148.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 95' ' ' GLN . . . -73.9 153.83 88.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 85.49 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.64 -2.25 5.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HG3' ' CB ' ' A' ' 92' ' ' ALA . 2.6 mm-40 -85.49 110.87 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.536 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 25.6 ttt -53.09 101.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -68.13 -178.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -132.24 63.04 66.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.3 Cg_endo -74.98 88.83 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -37.62 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -136.72 154.42 22.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 4.6 t 99.24 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.416 HD23 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.468 ' CG ' HG23 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.589 ' CE3' ' CG ' ' A' ' 103' ' ' ASP . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.466 ' CE ' HD11 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 115' ' ' ILE . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.431 ' HB3' HG12 ' A' ' 37' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.475 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 37' ' ' ILE . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.468 ' CE ' ' HE3' ' A' ' 68' ' ' MET . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -53.01 -51.0 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t 40.08 79.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 98.2 m -140.53 165.98 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.87 -52.21 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mm 66.18 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt -115.1 141.86 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.19 165.28 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.78 137.44 33.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -101.81 151.48 22.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -50.66 -37.25 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.4 mp0 -38.14 -47.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.3 51.11 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -172.92 155.71 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -92.41 124.97 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m -135.2 156.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CD2' HD12 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 28.8 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 54' ' ' THR . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.602 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' TRP . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.403 ' HE2' ' CG2' ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' CG2' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.424 ' HE1' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' CE1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 136' ' ' LEU . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.579 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.83 -35.05 75.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.83 -71.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.75 112.67 12.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.93 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 ' CG2' ' HG2' ' A' ' 98' ' ' GLU . 2.0 p -61.45 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 179.74 49.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.87 -176.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.85 139.74 7.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 65.74 6.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 95' ' ' GLN . 24.6 mm -53.61 112.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -68.09 149.83 97.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 46.21 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.34 13.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CD1' ' A' ' 91' ' ' ILE . 2.1 pt20 -117.91 -164.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.6 ptm -125.08 156.07 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -100.82 179.67 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.445 ' HG2' ' CG2' ' A' ' 86' ' ' VAL . 1.6 pm0 -86.94 120.56 71.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.536 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.09 133.65 16.71 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 36.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 104' ' ' ILE . . . 83.46 -47.59 3.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -37.93 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 101' ' ' GLY . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.463 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.426 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 115' ' ' ILE . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.599 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 52' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.444 ' CG1' ' OG ' ' A' ' 41' ' ' SER . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 69' ' ' LEU . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.401 ' HA ' ' CE ' ' A' ' 68' ' ' MET . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -28.32 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.2 OUTLIER -48.45 -54.77 23.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.3 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 t -48.35 160.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -179.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.46 135.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.663 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.0 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.716 HG21 HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 33' ' ' SER . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.865 HD11 ' CG2' ' A' ' 142' ' ' VAL . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.751 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.451 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 134' ' ' ILE . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.527 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.829 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.584 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.2 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' A' ' 129' ' ' ILE . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.418 ' CB ' ' CZ3' ' A' ' 117' ' ' TRP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.553 HG22 ' HB2' ' A' ' 113' ' ' GLU . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD21 ' NE2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 110' ' ' THR . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.696 ' HD1' HD13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 119' ' ' THR . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLY . 1.3 m80 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.696 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.831 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.619 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.829 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 141' ' ' ILE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.619 ' HA ' HD13 ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.865 ' CG2' HD11 ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.871 ' NE2' HD21 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 14' ' ' ALA . 14.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 15' ' ' ILE . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 20' ' ' LEU . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE2' ' A' ' 39' ' ' MET . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 142' ' ' VAL . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.735 ' HE2' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.694 ' HB2' HD21 ' A' ' 52' ' ' LEU . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.549 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.811 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.829 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.1 HG23 HG23 ' A' ' 126' ' ' VAL . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.871 HD21 ' NE2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HG2' HG21 ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.955 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.1 HG23 HG23 ' A' ' 104' ' ' ILE . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.955 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HD2' HD12 ' A' ' 52' ' ' LEU . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.734 ' HB3' HD13 ' A' ' 73' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.727 HD12 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.829 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.811 ' N ' HG21 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 138' ' ' LEU . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.512 HD13 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.712 ' NE2' HD21 ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 14' ' ' ALA . 24.5 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.821 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG23 ' A' ' 58' ' ' THR . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' SD ' ' A' ' 39' ' ' MET . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 30' ' ' LYS . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.672 ' HE3' HD11 ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.672 HD11 ' HE3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.743 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.821 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.546 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 141' ' ' ILE . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.767 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 136' ' ' LEU . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.992 HG23 HG23 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.531 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.712 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.51 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 119' ' ' THR . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.881 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.856 ' HB3' HD13 ' A' ' 73' ' ' ILE . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.703 ' CD1' HD11 ' A' ' 56' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.705 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.767 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.609 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.9 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.72 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD11 HG21 ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 20' ' ' LEU . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 22' ' ' ALA . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ALA . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 59' ' ' VAL . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.681 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.932 HD11 ' CG2' ' A' ' 142' ' ' VAL . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.491 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 52' ' ' LEU . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.688 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.824 HD22 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.62 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.577 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.664 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.717 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.535 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.583 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.844 HD13 HG21 ' A' ' 129' ' ' ILE . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.9 HD21 ' NE2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.512 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.734 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.758 ' HD1' HD13 ' A' ' 124' ' ' ILE . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 119' ' ' THR . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.758 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.844 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.734 HG21 ' HG2' ' A' ' 114' ' ' GLN . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.844 HG21 HD13 ' A' ' 104' ' ' ILE . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.717 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 65' ' ' ALA . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.932 ' CG2' HD11 ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.855 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 ' SD ' ' A' ' 39' ' ' MET . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.901 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.55 ' SD ' HG11 ' A' ' 26' ' ' VAL . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' HE2' HG21 ' A' ' 134' ' ' ILE . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.619 ' CB ' HD21 ' A' ' 52' ' ' LEU . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' OD2' HG23 ' A' ' 48' ' ' THR . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.933 HD13 HD12 ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.729 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.525 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD11 ' CD1' ' A' ' 134' ' ' ILE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.692 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.901 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 141' ' ' ILE . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.583 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.793 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.783 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.724 ' OE1' HD13 ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 82.0 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.109 HG23 HG23 ' A' ' 126' ' ' VAL . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.855 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.895 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.729 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 119' ' ' THR . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.729 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.779 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.109 HG23 HG23 ' A' ' 104' ' ' ILE . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.783 ' HB3' HD13 ' A' ' 73' ' ' ILE . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.933 HD12 HD13 ' A' ' 52' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.793 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.691 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' VAL . 78.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' ILE . 29.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.903 ' NE2' HD21 ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.867 HD13 ' CG2' ' A' ' 54' ' ' THR . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.831 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.495 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.867 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD11 HD13 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.831 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 4.2 m80 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.853 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.777 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.995 ' HG3' HD13 ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.902 HG23 HG23 ' A' ' 126' ' ' VAL . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.565 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.903 HD21 ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.819 ' HG3' HG21 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.59 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 119' ' ' THR . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.59 HD13 ' HD1' ' A' ' 117' ' ' TRP . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.902 HG23 HG23 ' A' ' 104' ' ' ILE . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.777 ' CE3' HG23 ' A' ' 73' ' ' ILE . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 1.038 HD13 HD11 ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.995 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.853 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.476 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.638 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 34' ' ' PRO . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 111' ' ' LEU . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' ALA . 12.0 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG21 ' CE ' ' A' ' 39' ' ' MET . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.552 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.798 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.635 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.57 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.621 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.782 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.855 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.773 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HG3' HD13 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.709 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.724 HD13 HG21 ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.576 HD11 ' HD2' ' A' ' 12' ' ' HIS . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 103' ' ' ASP . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 2.0 t-80 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' A' ' 117' ' ' TRP . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.817 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.653 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.817 HD12 ' C ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.773 ' CE3' HG23 ' A' ' 73' ' ' ILE . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.985 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.855 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.717 HG21 ' HD2' ' A' ' 32' ' ' PHE . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 37' ' ' ILE . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.872 ' NE2' HD21 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.929 HG21 ' HE2' ' A' ' 39' ' ' MET . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.701 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.992 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG13 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.929 ' HE2' HG21 ' A' ' 26' ' ' VAL . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 15' ' ' ILE . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.771 HD13 HD12 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.902 HD11 ' CD1' ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.465 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.992 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.727 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.666 HD13 HD13 ' A' ' 129' ' ' ILE . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.555 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.872 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.757 ' CG ' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 113' ' ' GLU . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 119' ' ' THR . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.833 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.757 HG21 ' CG ' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.833 HD12 ' C ' ' A' ' 125' ' ' PRO . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.902 ' CD1' HD11 ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.544 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.727 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.793 HD13 ' HE2' ' A' ' 32' ' ' PHE . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 3.6 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.847 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.647 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.987 ' CH2' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 20' ' ' LEU . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 HG23 ' A' ' 36' ' ' VAL . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.987 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.699 ' O ' HD11 ' A' ' 135' ' ' ILE . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.474 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.025 HD22 HD13 ' A' ' 134' ' ' ILE . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.681 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.456 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.782 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.688 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.817 ' HA ' HG23 ' A' ' 126' ' ' VAL . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.847 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.744 ' HG3' HG21 ' A' ' 126' ' ' VAL . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.793 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.817 HG23 ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.793 HD12 ' C ' ' A' ' 125' ' ' PRO . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 1.025 HD13 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 37' ' ' ILE . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.782 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 141' ' ' ILE . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.621 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' VAL . 11.2 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 2' ' ' ILE . 9.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.873 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.711 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 20' ' ' LEU . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 142' ' ' VAL . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 52' ' ' LEU . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.792 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.987 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 126' ' ' VAL . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.873 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.424 ' CD ' HG22 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CH2' ' OD2' ' A' ' 103' ' ' ASP . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.475 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.806 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.987 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.792 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 138' ' ' LEU . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.682 HG21 HD12 ' A' ' 37' ' ' ILE . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.696 HD12 ' CE ' ' A' ' 118' ' ' MET . 12.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.621 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.703 HG21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 HG21 ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' CE ' ' A' ' 39' ' ' MET . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.552 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 55' ' ' MET . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.845 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.058 HG23 HG23 ' A' ' 126' ' ' VAL . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.643 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.581 ' N ' HD13 ' A' ' 115' ' ' ILE . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.524 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.696 ' CE ' HD12 ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 119' ' ' THR . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.524 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.901 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.058 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.901 HD12 ' C ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.719 HD12 HD13 ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.484 ' C ' HG21 ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.845 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.474 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 69' ' ' LEU . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.475 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.822 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 20' ' ' LEU . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.948 HD13 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 15' ' ' ILE . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.678 HG23 HG22 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.44 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.518 ' HE3' HG12 ' A' ' 141' ' ' ILE . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.822 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.725 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.813 HD13 HG21 ' A' ' 129' ' ' ILE . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.822 HD21 ' NE2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.696 ' HG2' HG21 ' A' ' 126' ' ' VAL . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.823 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 104' ' ' ILE . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.948 HD12 HD13 ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.822 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.416 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.518 HG12 ' HE3' ' A' ' 68' ' ' MET . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 37' ' ' ILE . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.566 HG23 ' C ' ' A' ' 11' ' ' VAL . 25.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' C ' HG23 ' A' ' 2' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.904 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 4.9 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.431 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.969 ' CH2' HG22 ' A' ' 36' ' ' VAL . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 22' ' ' ALA . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.969 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' CG ' HD12 ' A' ' 15' ' ' ILE . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HD12 ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 20' ' ' LEU . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 65' ' ' ALA . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 141' ' ' ILE . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.592 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.857 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.917 ' CG ' HD13 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.585 ' HA ' HG23 ' A' ' 126' ' ' VAL . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.904 HD21 ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.698 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 119' ' ' THR . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.798 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 104' ' ' ILE . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 135' ' ' ILE . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HB3' HD13 ' A' ' 73' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.57 HD12 HD13 ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.917 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.592 ' N ' HG21 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 138' ' ' LEU . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.695 ' CE1' HD21 ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.2 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 15' ' ' ILE . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.532 ' CE2' HG21 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' ALA . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.728 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.783 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.686 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.864 HD11 ' CG2' ' A' ' 142' ' ' VAL . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.721 ' HZ ' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.696 ' CG ' HD12 ' A' ' 15' ' ' ILE . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.751 HD22 HD13 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.721 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.505 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.783 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.8 m80 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.856 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.718 HD13 HG21 ' A' ' 129' ' ' ILE . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.753 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.583 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 119' ' ' THR . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 123' ' ' PRO . 1.4 t-80 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.538 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.747 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.753 HG21 ' NE2' ' A' ' 114' ' ' GLN . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.751 HD13 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 135' ' ' ILE . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.856 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 141' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 138' ' ' LEU . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.864 ' CG2' HD11 ' A' ' 37' ' ' ILE . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.403 HD11 HD11 ' A' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.901 ' NE2' HD21 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.751 HG22 HG23 ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' HE1' ' A' ' 39' ' ' MET . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.806 HD11 ' HB ' ' A' ' 142' ' ' VAL . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.744 ' HE1' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' HD21 ' A' ' 52' ' ' LEU . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.767 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.767 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.997 HD13 HD12 ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.725 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.584 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.815 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.667 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 1.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.845 HD13 HG21 ' A' ' 129' ' ' ILE . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' SER . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.901 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.837 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.444 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.53 ' O ' HG22 ' A' ' 119' ' ' THR . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.837 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.562 ' HD3' HD12 ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.997 HD12 HD13 ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.667 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.815 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 8.7 t-20 -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 32' ' ' PHE . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.898 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.2 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.678 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.469 HG23 HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 HG21 ' A' ' 15' ' ' ILE . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' LEU . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.78 HG13 ' HD3' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.698 HG11 ' CG2' ' A' ' 59' ' ' VAL . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' HG13 ' A' ' 26' ' ' VAL . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.805 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.51 ' SD ' HG11 ' A' ' 26' ' ' VAL . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 138' ' ' LEU . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD22 HG23 ' A' ' 19' ' ' THR . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.831 HD22 ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 69' ' ' LEU . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.639 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.708 ' N ' HG13 ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 1.053 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.839 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.725 ' HG2' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 129' ' ' ILE . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.898 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.717 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 119' ' ' THR . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 25.6 t-80 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.717 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.824 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 52' ' ' LEU . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 77' ' ' ALA . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.831 ' CD1' HD22 ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.839 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.628 HG21 ' HD2' ' A' ' 32' ' ' PHE . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.635 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 11' ' ' VAL . 13.4 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 2' ' ' ILE . 3.1 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.851 ' NE2' HD21 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 9.5 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.855 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 20' ' ' LEU . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' A' ' 36' ' ' VAL . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' CG1' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.655 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.631 ' HB2' HD21 ' A' ' 52' ' ' LEU . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.567 ' CG2' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.622 ' HE3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 134' ' ' ILE . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.488 ' HE3' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.517 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 12.9 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 129' ' ' ILE . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.851 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.698 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.67 ' HB3' HD13 ' A' ' 124' ' ' ILE . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.856 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.806 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.856 HD12 ' C ' ' A' ' 125' ' ' PRO . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 135' ' ' ILE . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.594 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' ILE . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 138' ' ' LEU . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.488 ' HG2' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.809 ' NE2' HD21 ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.2 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.778 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.683 ' CE2' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.778 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 142' ' ' VAL . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.729 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.724 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 43' ' ' LEU . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.473 ' OG1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.649 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 2.0 m80 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.43 ' HE3' HG12 ' A' ' 141' ' ' ILE . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.807 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.418 HD11 HG13 ' A' ' 134' ' ' ILE . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.867 ' CG ' HD13 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 126' ' ' VAL . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.577 ' HG2' HG21 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.413 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.828 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.491 ' CE2' HG22 ' A' ' 129' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.711 HG12 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.537 ' HA ' HD13 ' A' ' 135' ' ' ILE . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.867 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.807 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.683 HD23 ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.43 HG12 ' HE3' ' A' ' 68' ' ' MET . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.508 HD13 ' SD ' ' A' ' 118' ' ' MET . 20.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.866 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.819 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 58' ' ' THR . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG21 ' CE ' ' A' ' 39' ' ' MET . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.776 ' HB3' HG11 ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.501 HG23 ' CG1' ' A' ' 26' ' ' VAL . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.727 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 15' ' ' ILE . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 134' ' ' ILE . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.546 HG22 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 141' ' ' ILE . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.711 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.795 ' HA ' HG23 ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.866 HD21 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.806 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.589 ' CE3' ' CG ' ' A' ' 103' ' ' ASP . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 119' ' ' THR . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.819 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.806 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 1.001 ' CD1' HD11 ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.711 ' N ' HG21 ' A' ' 72' ' ' THR . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.84 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 138' ' ' LEU . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.776 HG11 ' HB3' ' A' ' 34' ' ' PRO . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.857 ' NE2' HD21 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 28.8 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 HD11 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.577 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 15' ' ' ILE . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.86 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 22' ' ' ALA . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.541 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.86 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.693 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.419 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.73 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.812 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.695 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.069 HG23 HG23 ' A' ' 126' ' ' VAL . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.495 ' HD1' HD13 ' A' ' 124' ' ' ILE . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 119' ' ' THR . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.495 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.659 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.069 HG23 HG23 ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.695 ' CH2' ' HB2' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.588 HG21 HD11 ' A' ' 56' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.812 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.73 ' N ' HG21 ' A' ' 72' ' ' THR . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 141' ' ' ILE . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.708 HD13 ' HE2' ' A' ' 32' ' ' PHE . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.422 HG22 ' HE1' ' A' ' 10' ' ' MET . 6.8 mt -111.66 143.43 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.93 163.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.513 ' HG3' ' HE2' ' A' ' 10' ' ' MET . 8.9 mt-30 -103.57 122.28 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' GLN . 5.1 m120 -49.16 177.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -44.98 16.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -60.89 -60.67 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.47 76.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -160.4 157.74 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.84 121.78 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -140.94 154.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.663 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 15.1 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.716 HG21 HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 33' ' ' SER . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.865 HD11 ' CG2' ' A' ' 142' ' ' VAL . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.751 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.451 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 134' ' ' ILE . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.527 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.829 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.584 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 83' ' ' LEU . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -43.81 89.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.9 mt -71.12 -79.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.435 ' HB2' ' NH1' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -93.1 111.85 53.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.06 2.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HB ' ' NE ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -176.81 131.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -110.11 96.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -127.79 -139.04 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.89 41.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD13 ' HD3' ' A' ' 97' ' ' ARG . 2.1 tt -162.65 128.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.828 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -40.2 154.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.01 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.29 -1.74 6.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mm-40 -82.05 132.22 35.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.803 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -71.68 155.74 40.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 91' ' ' ILE . 6.3 ttp85 -129.97 167.55 18.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 100' ' ' ARG . 4.7 mt-10 -125.17 93.32 45.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.437 ' CG ' HG21 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.02 51.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 84' ' ' HIS . 6.0 mmp_? 45.71 -173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . -43.41 -39.35 4.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.2 m -40.53 -30.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' A' ' 129' ' ' ILE . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.437 HG21 ' CG ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.418 ' CB ' ' CZ3' ' A' ' 117' ' ' TRP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.553 HG22 ' HB2' ' A' ' 113' ' ' GLU . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD21 ' NE2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 110' ' ' THR . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.803 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 119' ' ' THR . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLY . 1.3 m80 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.696 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.831 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.619 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.829 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 141' ' ' ILE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.619 ' HA ' HD13 ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.865 ' CG2' HD11 ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -52.48 -49.84 63.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.5 t -80.5 140.45 51.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 148' ' ' THR . 18.2 Cg_endo -75.0 71.22 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 148' ' ' THR . 9.7 t 32.99 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -109.83 77.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.0 pp -104.13 177.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -105.72 138.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.4 m -136.8 164.82 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -95.95 125.27 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.38 172.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -48.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -67.41 -54.99 15.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 80.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -164.48 123.79 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.56 121.53 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -149.83 154.92 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.871 ' NE2' HD21 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 14' ' ' ALA . 14.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 15' ' ' ILE . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 20' ' ' LEU . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE2' ' A' ' 39' ' ' MET . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 142' ' ' VAL . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.735 ' HE2' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.694 ' HB2' HD21 ' A' ' 52' ' ' LEU . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.549 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.811 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.829 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -56.67 -46.94 80.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.2 mt -71.1 -87.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.566 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -115.63 90.05 24.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.6 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 98' ' ' GLU . 7.3 p -83.41 87.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 176.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.25 75.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.95 106.8 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 86.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 96' ' ' MET . 64.7 mt -76.84 149.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -65.83 154.6 88.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.98 -2.13 5.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.819 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 23.5 mm-40 -94.93 146.46 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.604 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -42.28 165.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.382 1.051 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -97.3 -178.98 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 tt0 -116.93 80.22 10.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 157.83 42.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -63.32 -147.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.44 -24.75 60.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -26.26 22.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.1 HG23 HG23 ' A' ' 126' ' ' VAL . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.871 HD21 ' NE2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HG2' HG21 ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.955 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.1 HG23 HG23 ' A' ' 104' ' ' ILE . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.955 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HD2' HD12 ' A' ' 52' ' ' LEU . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.734 ' HB3' HD13 ' A' ' 73' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.727 HD12 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.829 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.811 ' N ' HG21 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 138' ' ' LEU . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -51.21 -48.72 61.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.4 p 39.21 66.77 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.063 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.8 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 148' ' ' THR . 8.2 t -173.38 61.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.4 t -129.3 170.65 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.5 tt -149.67 168.2 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.55 ' C ' HD13 ' A' ' 151' ' ' LEU . 2.3 tm? . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.512 HD13 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt -100.84 148.81 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.624 HG21 ' OE1' ' A' ' 13' ' ' GLN . 12.0 m -146.36 163.0 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 24.0 tt0 -104.17 114.42 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLN . 4.9 m120 -45.45 169.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.08 -54.75 18.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -54.18 -60.94 2.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.23 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -149.46 123.02 9.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 116.26 18.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.72 154.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.712 ' NE2' HD21 ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.624 ' OE1' HG21 ' A' ' 3' ' ' VAL . 73.6 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.821 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG23 ' A' ' 58' ' ' THR . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' SD ' ' A' ' 39' ' ' MET . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 30' ' ' LYS . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.672 ' HE3' HD11 ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.672 HD11 ' HE3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.743 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.821 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.546 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 141' ' ' ILE . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.767 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 136' ' ' LEU . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -32.63 70.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.4 mt -79.49 -81.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -75.7 114.07 32.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . 18.5 Cg_endo -74.96 151.19 39.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 38.6 t -153.05 115.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -152.43 52.87 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.626 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 40.47 83.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.71 -141.47 9.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 149.15 36.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 96' ' ' MET . 4.9 tt -172.39 159.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.767 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -79.54 154.29 76.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 85.16 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.04 -1.4 5.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -84.04 148.54 26.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.837 ' O ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.14 159.15 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -179.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 6.0 tp10 -124.14 74.16 58.32 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' CB ' ' HB2' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.03 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 3.5 mtm105 -122.48 -91.68 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -108.85 -49.52 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -41.78 -28.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.992 HG23 HG23 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.712 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.51 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.773 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 119' ' ' THR . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.58 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.881 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.856 ' HB3' HD13 ' A' ' 73' ' ' ILE . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.703 ' CD1' HD11 ' A' ' 56' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.705 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.767 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.609 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.12 43.08 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -92.17 112.38 54.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.35 9.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.9 m -53.72 150.03 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.9 t 60.59 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.61 127.86 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.27 152.26 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.64 163.93 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 27.8 tt0 -108.19 121.11 44.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLN . 3.2 m120 -48.8 176.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.88 -44.94 14.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.21 74.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.98 157.63 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mmt -107.27 123.11 47.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m -137.94 154.27 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.9 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.72 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD11 HG21 ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 20' ' ' LEU . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 22' ' ' ALA . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ALA . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 59' ' ' VAL . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.681 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.932 HD11 ' CG2' ' A' ' 142' ' ' VAL . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.491 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 52' ' ' LEU . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.688 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.824 HD22 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.62 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.577 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.664 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.717 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.535 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' HIS . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -39.5 91.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 79' ' ' GLU . 2.1 mt -81.57 -67.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' TRP . 43.2 m-70 -69.77 152.46 96.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.704 ' C ' HG13 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.704 HG13 ' C ' ' A' ' 85' ' ' PRO . 1.5 m 61.8 114.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 88' ' ' ALA . 1.8 t60 -149.55 163.82 36.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 87' ' ' HIS . . . 46.06 93.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.74 113.63 1.85 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.96 54.6 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 47.94 -175.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.779 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -90.1 154.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.98 -1.07 6.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.779 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 10.4 mm-40 -106.1 144.55 32.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.784 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.3 ttt -123.65 103.85 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.838 ' HB2' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.21 -179.65 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 86' ' ' VAL . 1.5 tt0 -55.16 116.18 10.88 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.96 153.84 42.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 HH21 ' N ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -101.57 30.1 4.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 89.29 -52.28 3.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.583 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.3 t -43.15 -39.47 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 101' ' ' GLY . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.9 HD21 ' NE2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.512 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.734 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.784 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.45 ' O ' HG22 ' A' ' 119' ' ' THR . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' NE2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.758 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.844 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.734 HG21 ' HG2' ' A' ' 114' ' ' GLN . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.844 HG21 HD13 ' A' ' 104' ' ' ILE . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.717 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 65' ' ' ALA . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.932 ' CG2' HD11 ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.62 -50.69 62.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.5 p 39.35 66.25 3.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 179.17 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 148' ' ' THR . 7.7 t -150.21 59.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.2 107.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.6 tp -146.64 150.61 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 1.5 mt -117.02 154.23 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 2' ' ' ILE . 1.1 m -149.82 166.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -86.46 65.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.3 tp 83.32 -48.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 164.37 -24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 9' ' ' GLN . . . -44.48 -23.68 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER 161.17 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.66 129.63 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.48 154.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.855 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 1.3 tt0 -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 ' SD ' ' A' ' 39' ' ' MET . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.901 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.55 ' SD ' HG11 ' A' ' 26' ' ' VAL . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' HE2' HG21 ' A' ' 134' ' ' ILE . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.619 ' CB ' HD21 ' A' ' 52' ' ' LEU . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' OD2' HG23 ' A' ' 48' ' ' THR . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.933 HD13 HD12 ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.729 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.525 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD11 ' CD1' ' A' ' 134' ' ' ILE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.692 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.901 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 141' ' ' ILE . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.793 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.783 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.724 ' OE1' HD13 ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -37.59 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.3 mt -72.18 -55.44 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.41 92.22 27.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.643 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 63.73 6.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 98' ' ' GLU . 74.0 t -39.81 141.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.84 58.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.05 178.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.18 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.578 1.174 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 67.93 5.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 tt -90.92 137.13 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.849 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -60.49 153.07 62.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.99 -0.51 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.171 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -76.06 55.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 36.04 82.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 111.067 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttp-105 -104.77 149.53 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' HG11 ' A' ' 86' ' ' VAL . 4.9 mm-40 -58.2 114.31 8.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.05 151.34 39.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 86' ' ' VAL . 76.3 mtm180 -102.48 32.73 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 90.0 -53.15 3.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 82.0 p -45.76 -39.94 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.109 HG23 HG23 ' A' ' 126' ' ' VAL . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.855 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.895 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.729 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 119' ' ' THR . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.729 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.779 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.109 HG23 HG23 ' A' ' 104' ' ' ILE . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.783 ' HB3' HD13 ' A' ' 73' ' ' ILE . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.933 HD12 HD13 ' A' ' 52' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.793 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.691 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.53 -51.39 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 91.8 p 42.19 79.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 148' ' ' THR . 8.1 t -118.91 57.94 0.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.08 87.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt -135.1 129.83 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' VAL . 78.1 mt -114.83 150.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 m -129.75 165.62 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.458 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 3.6 mt-30 -112.3 122.49 47.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -49.54 178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.71 -53.77 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.375 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -52.99 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 71.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -148.13 158.21 43.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.783 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.458 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.98 125.0 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' ILE . 29.9 m -142.2 153.53 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.903 ' NE2' HD21 ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.6 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.867 HD13 ' CG2' ' A' ' 54' ' ' THR . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.831 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.495 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.867 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD11 HD13 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.831 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 4.2 m80 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.853 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.777 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.995 ' HG3' HD13 ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.02 -38.53 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.7 mt -75.41 -84.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -70.25 113.38 17.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.57 33.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.696 HG11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 p -176.6 56.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.93 57.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.68 176.29 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.611 1.194 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.43 121.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.81 4.88 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tt -50.13 166.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.857 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -72.57 153.9 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 85.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.6 -1.28 5.99 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.857 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 1.7 mm-40 -82.57 138.02 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.665 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -58.61 143.15 47.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.27 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.357 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -52.42 117.11 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.244 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.1 139.64 24.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.696 ' HG3' HG11 ' A' ' 86' ' ' VAL . 14.3 mtm180 -93.29 35.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.868 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 83.58 -46.69 3.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t -45.53 -40.07 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.902 HG23 HG23 ' A' ' 126' ' ' VAL . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.565 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.903 HD21 ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.819 ' HG3' HG21 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.665 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 119' ' ' THR . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.59 HD13 ' HD1' ' A' ' 117' ' ' TRP . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.902 HG23 HG23 ' A' ' 104' ' ' ILE . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.777 ' CE3' HG23 ' A' ' 73' ' ' ILE . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 1.038 HD13 HD11 ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.995 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.853 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.476 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.638 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 34' ' ' PRO . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -54.0 -52.24 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.2 t 39.14 68.63 1.91 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 148' ' ' THR . 9.5 t -171.89 58.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -177.15 170.55 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.07 163.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt -90.82 153.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.65 HG21 ' OE1' ' A' ' 13' ' ' GLN . 14.4 m -151.02 161.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -107.31 118.93 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.05 -57.64 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.48 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.21 62.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -138.12 156.4 47.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.406 ' C ' HG13 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -107.85 116.95 32.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 11.5 m -151.22 155.03 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 111' ' ' LEU . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.65 ' OE1' HG21 ' A' ' 3' ' ' VAL . 53.4 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG21 ' CE ' ' A' ' 39' ' ' MET . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.552 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.798 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.635 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.57 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.621 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.782 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.855 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.773 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HG3' HD13 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.709 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -59.25 -42.55 91.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.43 -70.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -70.6 113.45 18.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 97.58 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.7 p -171.11 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -164.98 50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.63 -176.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.69 107.95 0.82 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.03 2.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.597 1.841 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.628 HG22 ' HB2' ' A' ' 95' ' ' GLN . 88.1 mt -59.67 145.68 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.842 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -43.22 152.34 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 85.81 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.26 -2.66 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 29.5 mm-40 -87.28 138.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 11.9 ttt -63.59 125.02 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' A' ' 91' ' ' ILE . 7.4 mtm180 -85.19 -176.94 6.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 3.4 pm0 -131.41 62.36 64.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.665 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -75.02 170.65 19.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.433 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 24.5 mmt180 -154.21 93.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . 129.48 -96.9 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 m -41.71 -43.23 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.724 HD13 HG21 ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.576 HD11 ' HD2' ' A' ' 12' ' ' HIS . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.665 ' CZ2' ' CG ' ' A' ' 99' ' ' PRO . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 1.7 t60 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.433 HG12 ' CZ ' ' A' ' 100' ' ' ARG . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.817 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.653 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.817 HD12 ' C ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.773 ' CE3' HG23 ' A' ' 73' ' ' ILE . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.985 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.855 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.717 HG21 ' HD2' ' A' ' 32' ' ' PHE . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 37' ' ' ILE . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -54.08 -52.27 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.0 t 41.56 77.71 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -178.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.4 m -97.81 -60.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 56.0 p -166.72 117.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.2 mt 64.44 105.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -111.54 141.92 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 m -130.52 165.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -96.59 132.0 42.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.2 174.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -49.7 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.07 -55.4 14.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.2 80.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -163.54 124.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mmt -69.56 128.59 37.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.07 155.13 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.872 ' NE2' HD21 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.929 HG21 ' HE2' ' A' ' 39' ' ' MET . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.701 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.992 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG13 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.929 ' HE2' HG21 ' A' ' 26' ' ' VAL . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 15' ' ' ILE . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.771 HD13 HD12 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.902 HD11 ' CD1' ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.465 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.992 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.727 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.11 -43.41 95.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 84' ' ' HIS . 4.6 pp -96.91 -9.54 28.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 83' ' ' LEU . 32.0 m80 -116.9 97.28 50.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 142.36 27.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.432 1.754 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 86' ' ' VAL . 75.3 t -99.55 75.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -93.96 87.55 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -146.63 101.92 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.04 -77.41 0.98 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 65.28 6.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.17 171.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.848 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -90.97 153.26 44.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.06 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.63 -1.93 6.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.848 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 9.1 mm-40 -90.71 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.577 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -67.14 163.07 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 99' ' ' PRO . 5.5 mtp180 -60.9 -177.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 7.8 mm-40 -132.03 63.0 67.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.02 169.26 23.0 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -133.95 -67.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -116.45 104.07 1.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.7 m 151.25 -54.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.666 HD13 HD13 ' A' ' 129' ' ' ILE . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.555 ' O ' ' NE2' ' A' ' 114' ' ' GLN . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.872 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.757 ' CG ' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.577 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 119' ' ' THR . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.833 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.757 HG21 ' CG ' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.833 HD12 ' C ' ' A' ' 125' ' ' PRO . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.902 ' CD1' HD11 ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.544 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.727 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.793 HD13 ' HE2' ' A' ' 32' ' ' PHE . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -53.08 -51.1 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.3 t 39.49 80.94 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 142.75 27.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 148' ' ' THR . 6.8 t -163.67 55.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.85 171.05 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.3 tt -94.37 141.21 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 3.6 mm -106.62 145.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.402 HG11 ' OE1' ' A' ' 13' ' ' GLN . 16.8 m -135.74 161.89 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.47 122.52 47.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -49.73 177.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.6 -43.71 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -59.9 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.28 78.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.39 1.056 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -162.02 156.97 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -104.82 123.88 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -144.68 154.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.847 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' OE1' HG11 ' A' ' 3' ' ' VAL . 2.8 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.647 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.987 ' CH2' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 20' ' ' LEU . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 HG23 ' A' ' 36' ' ' VAL . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.987 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.699 ' O ' HD11 ' A' ' 135' ' ' ILE . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.474 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.025 HD22 HD13 ' A' ' 134' ' ' ILE . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.681 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.782 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.688 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -44.42 90.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.21 -48.09 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.417 ' CB ' ' HG3' ' A' ' 100' ' ' ARG . 8.6 m-70 -114.46 92.11 27.02 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.63 41.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.594 1.839 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HA ' ' A' ' 99' ' ' PRO . 7.6 p -146.14 147.39 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -170.33 52.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . . . -51.26 165.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.52 -84.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 69.37 5.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.41 159.98 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.854 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -70.81 154.53 94.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 86.18 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.78 -2.41 6.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.854 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 2.5 mm100 -84.29 161.19 20.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.762 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -106.42 147.15 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 1.8 ttm180 -66.18 173.21 3.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.76 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -134.42 62.17 53.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.143 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.871 ' HA ' HG11 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -74.94 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' PRO . 3.4 mmt180 -36.55 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -134.81 158.94 23.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 2.6 t 94.97 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.817 ' HA ' HG23 ' A' ' 126' ' ' VAL . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.847 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.744 ' HG3' HG21 ' A' ' 126' ' ' VAL . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.762 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.793 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.817 HG23 ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.793 HD12 ' C ' ' A' ' 125' ' ' PRO . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 1.025 HD13 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 37' ' ' ILE . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.782 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 141' ' ' ILE . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.621 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.72 -55.14 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 79.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 148' ' ' THR . 25.1 m -96.95 57.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -150.31 172.08 15.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 tt -94.35 149.0 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' VAL . 11.2 mt -117.8 138.09 49.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.8 165.56 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.01 39.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.419 HD22 HG21 ' A' ' 11' ' ' VAL . 10.5 p30 -84.17 139.72 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mp -41.95 -36.98 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -38.0 -37.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.71 47.03 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' CD ' HG21 ' A' ' 119' ' ' THR . 0.0 OUTLIER -165.41 148.78 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.97 125.88 35.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 2' ' ' ILE . 9.9 m -129.33 154.88 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.873 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.711 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 20' ' ' LEU . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 142' ' ' VAL . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 52' ' ' LEU . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.792 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.987 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.817 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -58.01 -39.37 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.6 mt -68.22 -74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HB2' ' CD ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -92.46 122.8 63.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.597 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 86' ' ' VAL . 18.1 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 85' ' ' PRO . 42.9 t -155.91 127.43 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -123.02 85.74 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.35 108.71 16.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -148.26 -88.32 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.29 2.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -139.26 166.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.837 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -81.65 154.24 70.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 86.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.23 -2.36 6.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.837 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 3.5 mm100 -85.99 143.39 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 0.73 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.718 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -76.82 153.12 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -68.1 -178.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 6.5 tt0 -133.6 62.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -74.97 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 28.2 mmt180 -123.01 -73.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -112.03 111.27 2.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.437 1.086 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.4 m 153.1 -55.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 126' ' ' VAL . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.873 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.424 ' CD ' HG22 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.718 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.475 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.53 HG21 ' CD ' ' A' ' 9' ' ' GLN . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.806 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.987 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.792 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 138' ' ' LEU . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.682 HG21 HD12 ' A' ' 37' ' ' ILE . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 146' ' ' SER . 1.1 m-85 -51.99 -50.53 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 145' ' ' TYR . 77.7 p 38.97 78.7 0.35 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.3 m -152.35 -58.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -146.33 122.49 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.058 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 151' ' ' LEU . 12.5 tt -140.77 -52.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 150' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.696 HD12 ' CE ' ' A' ' 118' ' ' MET . 12.2 mt -95.85 145.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 11' ' ' VAL . 32.7 m -130.46 159.23 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -104.9 137.47 42.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -71.6 -168.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -32.0 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -173.37 32.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 28.05 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -158.99 159.05 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.51 134.49 34.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 3' ' ' VAL . 30.2 m -152.62 153.8 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.621 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.703 HG21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 HG21 ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' CE ' ' A' ' 39' ' ' MET . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.552 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 55' ' ' MET . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.845 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -34.41 71.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.94 -51.54 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -115.09 90.68 24.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 108.37 2.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 98' ' ' GLU . 18.4 m -126.02 106.61 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.22 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 86.91 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.56 168.42 22.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.78 -137.4 8.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' ILE . 18.1 Cg_endo -75.1 90.59 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 97' ' ' ARG . 97.0 mt -40.02 148.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.857 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -76.09 154.43 84.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.33 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.67 -2.48 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.857 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 10.9 mm-40 -90.52 -54.76 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.697 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER 66.18 147.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -160.41 179.75 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' O ' HG11 ' A' ' 86' ' ' VAL . 5.3 mt-10 -81.81 116.35 62.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -74.97 166.47 29.15 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -115.6 32.78 5.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.803 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 86.86 -52.91 4.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -47.0 -29.87 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.931 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.058 HG23 HG23 ' A' ' 126' ' ' VAL . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.643 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.581 ' N ' HD13 ' A' ' 115' ' ' ILE . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.697 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.696 ' CE ' HD12 ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 119' ' ' THR . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.524 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.901 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.058 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.901 HD12 ' C ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.719 HD12 HD13 ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.484 ' C ' HG21 ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.845 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.474 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 69' ' ' LEU . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.53 34.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -120.66 77.88 29.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 149' ' ' SER . 13.0 t -116.12 154.51 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.3 OUTLIER -39.44 130.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -103.23 151.34 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.475 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -109.39 161.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 2' ' ' ILE . 3.7 m -148.59 165.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -124.5 111.81 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.261 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLN . 16.0 m-80 -41.48 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -56.83 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.377 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.33 -62.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.5 67.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -146.94 123.16 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.36 130.35 35.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.93 154.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.822 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 20' ' ' LEU . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.948 HD13 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 15' ' ' ILE . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.678 HG23 HG22 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.518 ' HE3' HG12 ' A' ' 141' ' ' ILE . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.822 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.725 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 83' ' ' LEU . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -47.99 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.7 mt -68.62 -71.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -98.55 109.16 51.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 162.71 36.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -176.23 138.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 146.26 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.29 143.6 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.06 -90.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.71 5.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 97' ' ' ARG . 14.9 mm -114.13 107.69 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -66.12 147.11 98.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 18.3 Cg_endo -74.95 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 134.51 -5.74 4.52 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' HG2' ' N ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -89.8 159.12 17.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.762 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -94.65 121.59 36.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.739 ' HB3' HD12 ' A' ' 91' ' ' ILE . 5.2 ptt-85 -111.09 179.25 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.991 ' O ' HG21 ' A' ' 86' ' ' VAL . 9.2 mt-10 -119.0 79.68 17.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.6 Cg_endo -74.98 167.85 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 6.2 mtm105 -75.38 -168.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . -58.05 -26.43 58.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -51.34 -29.61 15.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 0.812 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.813 HD13 HG21 ' A' ' 129' ' ' ILE . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.822 HD21 ' NE2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.696 ' HG2' HG21 ' A' ' 126' ' ' VAL . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.762 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.823 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 104' ' ' ILE . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.948 HD12 HD13 ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.822 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.416 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.518 HG12 ' HE3' ' A' ' 68' ' ' MET . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 37' ' ' ILE . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 146' ' ' SER . 0.1 OUTLIER -84.17 -44.91 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.489 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.3 OUTLIER -38.3 -55.38 2.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.5 Cg_endo -74.97 128.89 11.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 49.3 m 67.52 -69.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 147' ' ' PRO . 7.6 t 68.96 134.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.4 tp -112.53 144.9 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.566 HG23 ' C ' ' A' ' 11' ' ' VAL . 25.3 mt -101.55 141.96 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.85 166.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -86.36 138.47 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -143.63 -179.05 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD23 ' OE1' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 77.97 -56.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.624 ' OE1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 167.22 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.73 32.22 0.15 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -121.92 122.9 40.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.0 tpp -79.08 131.61 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' C ' HG23 ' A' ' 2' ' ' ILE . 13.2 m -147.21 156.16 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.904 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 7.5 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.431 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.969 ' CH2' HG22 ' A' ' 36' ' ' VAL . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 22' ' ' ALA . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.969 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' CG ' HD12 ' A' ' 15' ' ' ILE . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HD12 ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 20' ' ' LEU . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 65' ' ' ALA . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 141' ' ' ILE . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.592 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.857 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.917 ' CG ' HD13 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -44.69 96.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.23 -81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 100' ' ' ARG . 3.9 m80 -70.22 113.4 17.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.576 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.46 2.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG21 ' H ' ' A' ' 100' ' ' ARG . 88.7 t -95.25 113.25 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.37 73.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.32 163.1 18.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.24 -63.55 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 58.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.71 155.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 95' ' ' GLN . . . -76.69 153.94 83.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.31 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.93 -4.31 5.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 92' ' ' ALA . 23.6 mm-40 -76.72 136.43 39.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.595 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 3.1 ttt -53.91 118.59 4.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -100.86 169.46 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -130.25 67.57 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.2 Cg_endo -74.96 79.61 2.61 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.39 1.732 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.536 ' H ' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -44.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 95.72 95.02 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 156.13 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.585 ' HA ' HG23 ' A' ' 126' ' ' VAL . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.904 HD21 ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.698 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 119' ' ' THR . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.798 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 104' ' ' ILE . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 135' ' ' ILE . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HB3' HD13 ' A' ' 73' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.57 HD12 HD13 ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.917 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.592 ' N ' HG21 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 138' ' ' LEU . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 -80.46 -51.96 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t 39.41 79.72 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.26 27.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 148' ' ' THR . 9.7 t -172.7 58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 68.1 p 179.0 167.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.18 174.8 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt -113.98 150.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.57 162.18 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -106.65 119.01 38.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.401 1.063 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' GLN . 4.5 m120 -49.87 178.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.49 -55.8 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -50.94 -62.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.92 67.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.83 157.75 44.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.48 120.64 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.81 154.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.695 ' CE1' HD21 ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 7.7 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 15' ' ' ILE . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.532 ' CE2' HG21 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' ALA . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.728 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.783 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.686 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.864 HD11 ' CG2' ' A' ' 142' ' ' VAL . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.721 ' HZ ' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.696 ' CG ' HD12 ' A' ' 15' ' ' ILE . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.751 HD22 HD13 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.721 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.505 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.783 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.8 m80 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.856 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB1' ' CA ' ' A' ' 101' ' ' GLY . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.813 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -57.23 -45.2 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 79' ' ' GLU . 5.4 mt -69.58 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -116.12 87.7 20.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.411 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 18.2 Cg_endo -75.0 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 86' ' ' VAL . 12.4 p -78.92 69.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -125.49 89.9 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' HIS . . . 178.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.26 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.057 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.02 2.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.78 143.18 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.875 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -119.21 155.12 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.81 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.768 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.69 -1.88 5.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.875 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 13.8 mm-40 -93.36 156.14 16.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.563 ' SD ' ' CE1' ' A' ' 120' ' ' HIS . 18.7 ttt -70.72 105.97 3.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 27.2 mtp180 -69.08 170.04 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 86' ' ' VAL . 60.2 mt-10 -136.08 61.19 38.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.02 143.31 28.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.43 131.11 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.674 ' CA ' ' HB1' ' A' ' 77' ' ' ALA . . . 110.28 -104.75 1.86 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -49.39 -35.62 19.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.718 HD13 HG21 ' A' ' 129' ' ' ILE . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.753 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.583 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.569 ' O ' HG22 ' A' ' 119' ' ' THR . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.563 ' CE1' ' SD ' ' A' ' 96' ' ' MET . 1.3 t60 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.538 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.747 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.753 HG21 ' NE2' ' A' ' 114' ' ' GLN . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.751 HD13 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 135' ' ' ILE . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.856 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 141' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 138' ' ' LEU . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.864 ' CG2' HD11 ' A' ' 37' ' ' ILE . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.86 -50.8 63.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 t 39.09 66.85 2.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 171.71 17.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 148' ' ' THR . 9.4 t -168.33 57.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 t -174.68 171.1 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.48 173.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.415 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -110.43 158.25 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.415 HG13 ' C ' ' A' ' 2' ' ' ILE . 5.0 m -152.35 166.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.12 110.63 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -74.08 138.42 43.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -43.06 -40.21 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' LEU . 5.2 mp0 -37.59 -38.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.16 52.18 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -165.02 143.77 6.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.3 ttm -90.47 117.46 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -122.5 155.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.901 ' NE2' HD21 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.751 HG22 HG23 ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' HE1' ' A' ' 39' ' ' MET . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.806 HD11 ' HB ' ' A' ' 142' ' ' VAL . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.744 ' HE1' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' HD21 ' A' ' 52' ' ' LEU . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.767 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.767 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.997 HD13 HD12 ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.725 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.584 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.815 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.667 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 83' ' ' LEU . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -56.57 -47.18 80.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.0 mt -70.5 -80.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -117.61 89.04 31.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.546 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.767 HG11 ' HA ' ' A' ' 99' ' ' PRO . 4.1 p -165.18 158.47 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 4.0 p80 -160.42 110.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.88 172.3 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.59 -142.46 13.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.521 HD13 ' HG3' ' A' ' 97' ' ' ARG . 1.3 tt -110.4 136.64 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.849 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -43.65 153.46 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.78 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.56 -1.61 6.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 4.2 mm-40 -80.47 170.0 16.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.232 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE1' ' CD1' ' A' ' 117' ' ' TRP . 6.9 ttt -107.28 134.13 50.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.521 ' HG3' HD13 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -112.83 179.75 3.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.23 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.76 ' O ' HG21 ' A' ' 86' ' ' VAL . 2.0 mt-10 -134.18 67.55 73.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HA ' HG11 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -75.04 -174.68 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -76.19 -156.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -53.56 -34.71 50.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 1.7 m -39.5 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.845 HD13 HG21 ' A' ' 129' ' ' ILE . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' SER . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.901 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.837 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.702 ' CD1' ' HE1' ' A' ' 96' ' ' MET . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.444 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.53 ' O ' HG22 ' A' ' 119' ' ' THR . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.837 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.562 ' HD3' HD12 ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.997 HD12 HD13 ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.667 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.815 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 8.7 t-20 -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 32' ' ' PHE . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER -71.91 -53.19 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t 40.43 81.96 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.48 9.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 148' ' ' THR . 8.6 t -96.66 66.66 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 m 62.65 150.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt 65.64 135.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm -100.63 150.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.539 HG22 ' OE1' ' A' ' 13' ' ' GLN . 2.5 m -140.3 159.13 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ASN . 3.0 pt20 -107.24 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' GLN . 5.6 m120 -49.97 178.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.11 -55.23 5.08 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.45 71.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.591 1.182 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.7 157.01 42.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.36 117.64 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG23 HE22 ' A' ' 13' ' ' GLN . 19.7 m -133.38 154.09 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.898 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' A' ' 3' ' ' VAL . 16.3 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.678 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.469 HG23 HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 HG21 ' A' ' 15' ' ' ILE . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' LEU . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.78 HG13 ' HD3' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.698 HG11 ' CG2' ' A' ' 59' ' ' VAL . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' HG13 ' A' ' 26' ' ' VAL . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.805 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.51 ' SD ' HG11 ' A' ' 26' ' ' VAL . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 138' ' ' LEU . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD22 HG23 ' A' ' 19' ' ' THR . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.831 HD22 ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 69' ' ' LEU . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.639 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.708 ' N ' HG13 ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 1.053 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.839 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.725 ' HG2' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -59.05 -40.41 85.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 80' ' ' TRP . 4.4 mt -70.52 -57.06 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 80' ' ' TRP . 86.3 m-70 -70.67 113.55 19.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 81.6 2.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 100' ' ' ARG . 3.1 p -165.11 124.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 88' ' ' ALA . 33.9 t-80 -166.44 161.74 16.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.658 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 87' ' ' HIS . . . 58.47 159.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.44 120.22 3.19 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.755 HD13 ' HB3' ' A' ' 97' ' ' ARG . 96.9 mt -92.44 154.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.83 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -66.67 153.73 92.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 86.23 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.1 -2.13 6.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.83 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 4.3 mm-40 -78.82 108.77 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.637 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 8.5 ttt -50.19 95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.755 ' HB3' HD13 ' A' ' 91' ' ' ILE . 4.8 ptp85 -94.17 169.4 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.692 ' HG2' HG11 ' A' ' 86' ' ' VAL . 4.1 tp10 -65.36 118.17 47.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 117' ' ' TRP . 18.7 Cg_endo -74.97 60.35 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.82 ' HD2' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -71.8 81.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 48.16 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.3 m 153.94 -57.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 129' ' ' ILE . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.898 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.717 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 119' ' ' THR . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 31.1 t60 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.717 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.824 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 52' ' ' LEU . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 77' ' ' ALA . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.831 ' CD1' HD22 ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.839 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.628 HG21 ' HD2' ' A' ' 32' ' ' PHE . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.635 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.72 -48.09 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.62 93.96 30.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.928 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.66 2.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.421 1.748 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 48.3 m 62.54 140.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.99 158.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.6 mm 64.65 113.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 11' ' ' VAL . 13.4 mt -118.86 137.15 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.36 162.1 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 34.9 mt-30 -89.29 140.03 29.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.58 ' ND2' ' CD1' ' A' ' 6' ' ' LEU . 2.3 p-10 -161.03 128.55 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' CD1' ' ND2' ' A' ' 5' ' ' ASN . 0.6 OUTLIER 73.4 122.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.4 mp0 37.67 50.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 44.81 26.84 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 5.9 mt-30 -70.22 159.93 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -113.77 131.19 56.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 2' ' ' ILE . 3.1 m -149.58 157.06 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.851 ' NE2' HD21 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 20.9 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.855 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 20' ' ' LEU . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' A' ' 36' ' ' VAL . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' CG1' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.655 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.631 ' HB2' HD21 ' A' ' 52' ' ' LEU . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.567 ' CG2' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.622 ' HE3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 134' ' ' ILE . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.488 ' HE3' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.517 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -44.28 97.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.07 -6.39 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' TRP . 53.5 m80 -116.03 94.55 41.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.568 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 162.08 37.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 86' ' ' VAL . 6.4 p -170.47 66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.4 m80 -139.93 56.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' HIS . . . -179.65 91.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.73 84.61 0.29 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 97' ' ' ARG . 99.5 mt -73.62 149.65 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.692 ' HB3' ' CD ' ' A' ' 95' ' ' GLN . . . -53.03 150.63 10.08 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 85.75 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.69 -0.73 6.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.692 ' CD ' ' HB3' ' A' ' 92' ' ' ALA . 0.4 OUTLIER -71.45 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.638 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt 179.38 83.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' ILE . 2.8 mtt180 -71.62 -179.54 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -134.21 62.67 57.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.0 53.05 3.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' CD ' ' HB3' ' A' ' 84' ' ' HIS . 8.5 mtt-85 -40.15 123.08 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 116.85 -111.89 2.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 12.9 m -41.11 -34.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 129' ' ' ILE . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.851 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.698 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.67 ' HB3' HD13 ' A' ' 124' ' ' ILE . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.856 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.806 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.856 HD12 ' C ' ' A' ' 125' ' ' PRO . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 135' ' ' ILE . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.594 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' ILE . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 138' ' ' LEU . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.488 ' HG2' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER -77.84 -54.67 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t 39.36 84.03 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 167.04 27.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 m -136.72 -61.13 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.6 m -163.01 79.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.0 tt -96.92 -33.94 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt -117.51 141.91 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.46 165.7 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 29.7 mt-30 -90.16 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.748 HD22 HD12 ' A' ' 6' ' ' LEU . 2.0 p-10 -144.2 -173.6 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.748 HD12 HD22 ' A' ' 5' ' ' ASN . 0.1 OUTLIER 73.67 -56.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 165.92 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.43 30.4 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -118.61 155.7 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.445 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.88 131.67 54.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.12 155.74 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.809 ' NE2' HD21 ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 14.6 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.778 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.683 ' CE2' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.778 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 142' ' ' VAL . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.729 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.724 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 43' ' ' LEU . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.473 ' OG1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.649 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 2.0 m80 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.43 ' HE3' HG12 ' A' ' 141' ' ' ILE . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.807 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.418 HD11 HG13 ' A' ' 134' ' ' ILE . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.867 ' CG ' HD13 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.586 ' HB1' ' C ' ' A' ' 101' ' ' GLY . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 83' ' ' LEU . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -58.96 -39.94 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 79' ' ' GLU . 2.7 mt -79.34 -80.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -70.62 116.33 44.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.919 HG23 ' HB3' ' A' ' 98' ' ' GLU . 1.1 p -168.23 177.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -110.25 130.85 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 87' ' ' HIS . . . 71.91 171.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.62 -86.59 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.34 12.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.83 HD11 ' CB ' ' A' ' 97' ' ' ARG . 1.2 tt -116.54 169.96 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.83 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -98.44 153.39 38.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.35 -1.07 6.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.83 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 14.1 mm-40 -92.31 116.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.761 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.738 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt -86.71 65.9 9.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.056 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.83 ' CB ' HD11 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -81.01 177.86 8.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.919 ' HB3' HG23 ' A' ' 86' ' ' VAL . 18.8 tt0 -58.57 120.67 47.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.04 90.11 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.499 ' HD2' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -85.21 82.37 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.586 ' C ' ' HB1' ' A' ' 77' ' ' ALA . . . 41.88 98.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 157.82 -55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 126' ' ' VAL . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.577 ' HG2' HG21 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.738 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.413 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.828 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.491 ' CE2' HG22 ' A' ' 129' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.711 HG12 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.537 ' HA ' HD13 ' A' ' 135' ' ' ILE . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.867 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.807 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.683 HD23 ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.43 HG12 ' HE3' ' A' ' 68' ' ' MET . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.2 -50.82 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.7 t 39.38 69.66 1.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.437 1.756 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.4 m -138.99 153.29 48.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.0 m -47.36 118.38 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.943 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.9 mt -141.02 140.16 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 151' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.508 HD13 ' SD ' ' A' ' 118' ' ' MET . 20.2 mt -116.81 140.03 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.657 HG13 ' NE2' ' A' ' 13' ' ' GLN . 21.0 m -134.08 163.47 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 19.8 tt0 -106.35 118.5 36.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' GLN . 5.0 m120 -49.1 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.31 -55.23 5.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -51.06 -62.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.79 70.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -148.91 157.69 43.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 117.76 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.44 153.85 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.866 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.657 ' NE2' HG13 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.819 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 58' ' ' THR . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG21 ' CE ' ' A' ' 39' ' ' MET . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' O ' ' OE2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.776 ' HB3' HG11 ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.501 HG23 ' CG1' ' A' ' 26' ' ' VAL . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.727 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 15' ' ' ILE . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 134' ' ' ILE . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.546 HG22 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 141' ' ' ILE . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.711 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -58.95 -45.2 91.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -76.16 -45.91 31.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.415 ' CB ' ' HG2' ' A' ' 100' ' ' ARG . 19.8 m-70 -115.12 90.59 24.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.37 39.88 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' ' CD ' ' A' ' 100' ' ' ARG . 7.3 p -169.4 126.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.35 91.74 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.674 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.8 91.3 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.27 -69.83 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.35 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 97' ' ' ARG . 96.4 mt -132.13 148.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.895 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -73.9 153.83 88.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 85.49 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.64 -2.25 5.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.895 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 2.6 mm-40 -85.49 110.87 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.621 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 25.6 ttt -53.09 101.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.13 -178.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.431 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -132.24 63.04 66.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.3 Cg_endo -74.98 88.83 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -37.62 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -136.72 154.42 22.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 4.6 t 99.24 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.795 ' HA ' HG23 ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.866 HD21 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.806 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.621 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 119' ' ' THR . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.819 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.806 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 1.001 ' CD1' HD11 ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.711 ' N ' HG21 ' A' ' 72' ' ' THR . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.84 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 138' ' ' LEU . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.776 HG11 ' HB3' ' A' ' 34' ' ' PRO . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -53.01 -51.0 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t 40.08 79.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 98.2 m -140.53 165.98 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.87 -52.21 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mm 66.18 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.654 ' C ' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt -115.1 141.86 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.19 165.28 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.78 137.44 33.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -101.81 151.48 22.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -50.66 -37.25 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.2 mp0 -38.14 -47.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.3 51.11 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -172.92 155.71 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -92.41 124.97 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m -135.2 156.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.857 ' NE2' HD21 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 7.6 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 HD11 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.577 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 15' ' ' ILE . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.86 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 22' ' ' ALA . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.541 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.86 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.693 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.419 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.73 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.812 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.695 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.83 -35.05 75.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.9 mt -73.83 -71.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.75 112.67 12.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.93 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' HG2' ' A' ' 98' ' ' GLU . 2.0 p -61.45 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 179.74 49.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.87 -176.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.85 139.74 7.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 65.74 6.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.633 HD13 ' OE1' ' A' ' 95' ' ' GLN . 24.6 mm -53.61 112.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -68.09 149.83 97.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 46.21 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.34 13.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.633 ' OE1' HD13 ' A' ' 91' ' ' ILE . 2.1 pt20 -117.91 -164.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.6 ptm -125.08 156.07 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HG2' HD12 ' A' ' 91' ' ' ILE . 17.5 mtm105 -100.82 179.67 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 86' ' ' VAL . 1.6 pm0 -86.94 120.56 71.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.09 133.65 16.71 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -88.26 36.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 83.46 -47.59 3.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -37.93 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.069 HG23 HG23 ' A' ' 126' ' ' VAL . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.599 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 119' ' ' THR . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.495 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.659 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.069 HG23 HG23 ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.695 ' CH2' ' HB2' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.588 HG21 HD11 ' A' ' 56' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.812 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.73 ' N ' HG21 ' A' ' 72' ' ' THR . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 141' ' ' ILE . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.708 HD13 ' HE2' ' A' ' 32' ' ' PHE . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -28.32 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.472 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.2 OUTLIER -48.45 -54.77 23.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.3 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 t -48.35 160.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -179.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.46 135.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.663 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.0 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.716 HG21 HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 33' ' ' SER . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.865 HD11 ' CG2' ' A' ' 142' ' ' VAL . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.751 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.451 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 134' ' ' ILE . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.527 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.829 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.584 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.2 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' A' ' 129' ' ' ILE . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.418 ' CB ' ' CZ3' ' A' ' 117' ' ' TRP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.553 HG22 ' HB2' ' A' ' 113' ' ' GLU . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD21 ' NE2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 110' ' ' THR . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.696 ' HD1' HD13 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 119' ' ' THR . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLY . 5.8 m-70 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.696 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.831 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.619 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.829 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 141' ' ' ILE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.619 ' HA ' HD13 ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.865 ' CG2' HD11 ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.871 ' NE2' HD21 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 15' ' ' ILE . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 20' ' ' LEU . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE2' ' A' ' 39' ' ' MET . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 142' ' ' VAL . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.735 ' HE2' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.694 ' HB2' HD21 ' A' ' 52' ' ' LEU . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.549 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.811 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.829 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.1 HG23 HG23 ' A' ' 126' ' ' VAL . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.871 HD21 ' NE2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HG2' HG21 ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.955 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.1 HG23 HG23 ' A' ' 104' ' ' ILE . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.955 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HD2' HD12 ' A' ' 52' ' ' LEU . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.734 ' HB3' HD13 ' A' ' 73' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.727 HD12 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.829 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.811 ' N ' HG21 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 138' ' ' LEU . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.512 HD13 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.712 ' NE2' HD21 ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 14' ' ' ALA . 24.5 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.821 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG23 ' A' ' 58' ' ' THR . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' SD ' ' A' ' 39' ' ' MET . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 30' ' ' LYS . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.672 ' HE3' HD11 ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.672 HD11 ' HE3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.743 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.821 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.546 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 141' ' ' ILE . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.767 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 136' ' ' LEU . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.992 HG23 HG23 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.531 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.712 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.51 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 119' ' ' THR . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.881 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.856 ' HB3' HD13 ' A' ' 73' ' ' ILE . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.703 ' CD1' HD11 ' A' ' 56' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.705 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.767 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.609 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.9 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.72 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD11 HG21 ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 20' ' ' LEU . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 22' ' ' ALA . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ALA . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 59' ' ' VAL . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.681 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.932 HD11 ' CG2' ' A' ' 142' ' ' VAL . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.491 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 52' ' ' LEU . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.688 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.824 HD22 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.62 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.577 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.664 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 2.1 m-70 -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.717 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.535 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.583 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.844 HD13 HG21 ' A' ' 129' ' ' ILE . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.9 HD21 ' NE2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.512 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.734 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.758 ' HD1' HD13 ' A' ' 124' ' ' ILE . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 119' ' ' THR . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' PRO . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.758 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.844 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.734 HG21 ' HG2' ' A' ' 114' ' ' GLN . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 125' ' ' PRO . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.717 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 65' ' ' ALA . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.932 ' CG2' HD11 ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.855 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 ' SD ' ' A' ' 39' ' ' MET . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.901 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.55 ' SD ' HG11 ' A' ' 26' ' ' VAL . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' HE2' HG21 ' A' ' 134' ' ' ILE . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.619 ' CB ' HD21 ' A' ' 52' ' ' LEU . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' OD2' HG23 ' A' ' 48' ' ' THR . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.933 HD13 HD12 ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.729 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.525 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD11 ' CD1' ' A' ' 134' ' ' ILE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.692 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.901 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 141' ' ' ILE . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.583 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.793 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.783 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.724 ' OE1' HD13 ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 82.0 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.109 HG23 HG23 ' A' ' 126' ' ' VAL . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.855 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.895 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.729 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 119' ' ' THR . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.729 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.779 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.109 HG23 HG23 ' A' ' 104' ' ' ILE . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.783 ' HB3' HD13 ' A' ' 73' ' ' ILE . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.933 HD12 HD13 ' A' ' 52' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.793 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.691 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' VAL . 78.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' ILE . 29.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.903 ' NE2' HD21 ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.867 HD13 ' CG2' ' A' ' 54' ' ' THR . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.831 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.495 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.867 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD11 HD13 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.831 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 10.3 m-70 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.853 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.777 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.995 ' HG3' HD13 ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.902 HG23 HG23 ' A' ' 126' ' ' VAL . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.565 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.903 HD21 ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.819 ' HG3' HG21 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.59 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 119' ' ' THR . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.59 HD13 ' HD1' ' A' ' 117' ' ' TRP . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.902 HG23 HG23 ' A' ' 104' ' ' ILE . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.777 ' CE3' HG23 ' A' ' 73' ' ' ILE . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 1.038 HD13 HD11 ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.995 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.853 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.476 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.638 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 34' ' ' PRO . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 111' ' ' LEU . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 14' ' ' ALA . 12.0 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG21 ' CE ' ' A' ' 39' ' ' MET . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.552 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.798 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.635 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.57 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.621 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.782 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.855 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.773 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HG3' HD13 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.709 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.724 HD13 HG21 ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.576 HD11 ' HD2' ' A' ' 12' ' ' HIS . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.449 ' CZ3' ' HB2' ' A' ' 103' ' ' ASP . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 2.0 t-80 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.424 HD13 ' CD1' ' A' ' 117' ' ' TRP . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.817 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.653 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.817 HD12 ' C ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.773 ' CE3' HG23 ' A' ' 73' ' ' ILE . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.985 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.855 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.717 HG21 ' HD2' ' A' ' 32' ' ' PHE . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 37' ' ' ILE . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.872 ' NE2' HD21 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.929 HG21 ' HE2' ' A' ' 39' ' ' MET . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.701 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.992 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG13 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.929 ' HE2' HG21 ' A' ' 26' ' ' VAL . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 15' ' ' ILE . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.771 HD13 HD12 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.902 HD11 ' CD1' ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.465 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.992 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.727 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.666 HD13 HD13 ' A' ' 129' ' ' ILE . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.872 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.757 ' CG ' HG21 ' A' ' 126' ' ' VAL . 0.1 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 113' ' ' GLU . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' THR . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.833 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.757 HG21 ' CG ' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.833 HD12 ' C ' ' A' ' 125' ' ' PRO . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.902 ' CD1' HD11 ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.544 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.727 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.793 HD13 ' HE2' ' A' ' 32' ' ' PHE . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 3.6 mm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.847 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.647 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.987 ' CH2' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 20' ' ' LEU . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 HG23 ' A' ' 36' ' ' VAL . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.987 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.699 ' O ' HD11 ' A' ' 135' ' ' ILE . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.474 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.025 HD22 HD13 ' A' ' 134' ' ' ILE . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.681 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.456 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.782 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.688 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.817 ' HA ' HG23 ' A' ' 126' ' ' VAL . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.847 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.744 ' HG3' HG21 ' A' ' 126' ' ' VAL . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.793 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.817 HG23 ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.793 HD12 ' C ' ' A' ' 125' ' ' PRO . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 1.025 HD13 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 37' ' ' ILE . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.782 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 141' ' ' ILE . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.621 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' VAL . 11.2 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 2' ' ' ILE . 9.9 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.873 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.711 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 20' ' ' LEU . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 142' ' ' VAL . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 52' ' ' LEU . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.792 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.987 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 126' ' ' VAL . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.873 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.424 ' CD ' HG22 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CH2' ' OD2' ' A' ' 103' ' ' ASP . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.475 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 115' ' ' ILE . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.806 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.987 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.792 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 138' ' ' LEU . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.682 HG21 HD12 ' A' ' 37' ' ' ILE . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.696 HD12 ' CE ' ' A' ' 118' ' ' MET . 12.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.621 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.703 HG21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 HG21 ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' CE ' ' A' ' 39' ' ' MET . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.552 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 55' ' ' MET . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.845 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.058 HG23 HG23 ' A' ' 126' ' ' VAL . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.643 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.581 ' N ' HD13 ' A' ' 115' ' ' ILE . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.524 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.696 ' CE ' HD12 ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 119' ' ' THR . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.524 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.901 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.058 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.901 HD12 ' C ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.719 HD12 HD13 ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.484 ' C ' HG21 ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.845 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.474 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 69' ' ' LEU . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.475 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.822 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 20' ' ' LEU . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.948 HD13 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 15' ' ' ILE . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.678 HG23 HG22 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.44 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.518 ' HE3' HG12 ' A' ' 141' ' ' ILE . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.822 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.725 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.813 HD13 HG21 ' A' ' 129' ' ' ILE . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.822 HD21 ' NE2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.696 ' HG2' HG21 ' A' ' 126' ' ' VAL . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 103' ' ' ASP . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.823 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 104' ' ' ILE . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.948 HD12 HD13 ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.822 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.416 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.518 HG12 ' HE3' ' A' ' 68' ' ' MET . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 37' ' ' ILE . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.566 HG23 ' C ' ' A' ' 11' ' ' VAL . 25.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' C ' HG23 ' A' ' 2' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.904 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 4.9 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.431 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.969 ' CH2' HG22 ' A' ' 36' ' ' VAL . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 22' ' ' ALA . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.969 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' CG ' HD12 ' A' ' 15' ' ' ILE . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HD12 ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 20' ' ' LEU . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 65' ' ' ALA . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 141' ' ' ILE . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.592 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.857 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.917 ' CG ' HD13 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.585 ' HA ' HG23 ' A' ' 126' ' ' VAL . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.904 HD21 ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.698 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 119' ' ' THR . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.798 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 104' ' ' ILE . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 135' ' ' ILE . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HB3' HD13 ' A' ' 73' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.57 HD12 HD13 ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.917 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.592 ' N ' HG21 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 138' ' ' LEU . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.695 ' CE1' HD21 ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.2 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 15' ' ' ILE . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.532 ' CE2' HG21 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' ALA . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.728 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.783 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.686 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.864 HD11 ' CG2' ' A' ' 142' ' ' VAL . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.721 ' HZ ' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.696 ' CG ' HD12 ' A' ' 15' ' ' ILE . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.751 HD22 HD13 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.721 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.505 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.783 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 4.6 m-70 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.856 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.718 HD13 HG21 ' A' ' 129' ' ' ILE . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.753 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.583 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' THR . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 123' ' ' PRO . 1.4 t-80 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.538 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.747 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.753 HG21 ' NE2' ' A' ' 114' ' ' GLN . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.751 HD13 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 135' ' ' ILE . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.856 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 141' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 138' ' ' LEU . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.864 ' CG2' HD11 ' A' ' 37' ' ' ILE . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.403 HD11 HD11 ' A' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.901 ' NE2' HD21 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.751 HG22 HG23 ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' HE1' ' A' ' 39' ' ' MET . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.806 HD11 ' HB ' ' A' ' 142' ' ' VAL . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.744 ' HE1' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' HD21 ' A' ' 52' ' ' LEU . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.767 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.767 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.997 HD13 HD12 ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.725 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.584 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.815 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.667 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 1.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.845 HD13 HG21 ' A' ' 129' ' ' ILE . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' SER . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.901 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.837 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CE3' ' OD1' ' A' ' 103' ' ' ASP . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.444 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 119' ' ' THR . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.837 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.562 ' HD3' HD12 ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.997 HD12 HD13 ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.667 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.815 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 32' ' ' PHE . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.898 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.2 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.678 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.469 HG23 HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 HG21 ' A' ' 15' ' ' ILE . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' LEU . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.78 HG13 ' HD3' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.698 HG11 ' CG2' ' A' ' 59' ' ' VAL . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' HG13 ' A' ' 26' ' ' VAL . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.805 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.51 ' SD ' HG11 ' A' ' 26' ' ' VAL . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 138' ' ' LEU . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD22 HG23 ' A' ' 19' ' ' THR . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.831 HD22 ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 69' ' ' LEU . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.639 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.708 ' N ' HG13 ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 1.053 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.839 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.725 ' HG2' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 129' ' ' ILE . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.898 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.717 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 119' ' ' THR . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 25.6 t-80 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.717 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.824 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 52' ' ' LEU . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 77' ' ' ALA . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.831 ' CD1' HD22 ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.839 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.628 HG21 ' HD2' ' A' ' 32' ' ' PHE . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.635 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 11' ' ' VAL . 13.4 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 2' ' ' ILE . 3.1 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.851 ' NE2' HD21 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 9.5 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.855 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 20' ' ' LEU . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' A' ' 36' ' ' VAL . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' CG1' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.655 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.631 ' HB2' HD21 ' A' ' 52' ' ' LEU . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.567 ' CG2' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.622 ' HE3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 134' ' ' ILE . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.488 ' HE3' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.517 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 12.9 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 129' ' ' ILE . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.851 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.698 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.67 ' HB3' HD13 ' A' ' 124' ' ' ILE . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.856 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.806 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.856 HD12 ' C ' ' A' ' 125' ' ' PRO . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 135' ' ' ILE . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.594 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' ILE . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 138' ' ' LEU . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.488 ' HG2' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.809 ' NE2' HD21 ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.2 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.778 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.683 ' CE2' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.778 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 142' ' ' VAL . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.729 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.724 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 43' ' ' LEU . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.473 ' OG1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.649 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 6.1 m-70 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.43 ' HE3' HG12 ' A' ' 141' ' ' ILE . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.807 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.418 HD11 HG13 ' A' ' 134' ' ' ILE . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.867 ' CG ' HD13 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 126' ' ' VAL . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.577 ' HG2' HG21 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.617 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.413 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.828 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.491 ' CE2' HG22 ' A' ' 129' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.711 HG12 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 135' ' ' ILE . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.867 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.807 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.683 HD23 ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.43 HG12 ' HE3' ' A' ' 68' ' ' MET . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.508 HD13 ' SD ' ' A' ' 118' ' ' MET . 20.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.866 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.819 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 58' ' ' THR . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.727 HG21 ' CE ' ' A' ' 39' ' ' MET . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.776 ' HB3' HG11 ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.501 HG23 ' CG1' ' A' ' 26' ' ' VAL . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.727 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 15' ' ' ILE . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 134' ' ' ILE . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.546 HG22 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 141' ' ' ILE . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.711 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.795 ' HA ' HG23 ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.866 HD21 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.806 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.589 ' CE3' ' CG ' ' A' ' 103' ' ' ASP . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 119' ' ' THR . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.819 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.806 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 1.001 ' CD1' HD11 ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.711 ' N ' HG21 ' A' ' 72' ' ' THR . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.84 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 138' ' ' LEU . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.776 HG11 ' HB3' ' A' ' 34' ' ' PRO . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.857 ' NE2' HD21 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 28.8 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 HD11 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.577 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 15' ' ' ILE . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.86 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 22' ' ' ALA . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.541 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.86 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.693 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.419 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.73 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.812 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.695 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.069 HG23 HG23 ' A' ' 126' ' ' VAL . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.495 ' HD1' HD13 ' A' ' 124' ' ' ILE . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 119' ' ' THR . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.495 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.659 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.069 HG23 HG23 ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.695 ' CH2' ' HB2' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.588 HG21 HD11 ' A' ' 56' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.812 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.73 ' N ' HG21 ' A' ' 72' ' ' THR . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 141' ' ' ILE . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.708 HD13 ' HE2' ' A' ' 32' ' ' PHE . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.51 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.422 HG22 ' HE1' ' A' ' 10' ' ' MET . 6.8 mt -111.66 143.43 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.93 163.55 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.513 ' HG3' ' HE2' ' A' ' 10' ' ' MET . 8.9 mt-30 -103.57 122.28 44.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' GLN . 17.2 m-80 -49.16 177.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 -44.98 16.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -60.89 -60.67 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.47 76.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -160.4 157.74 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -104.84 121.78 44.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -140.94 154.85 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.663 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.0 p80 -103.99 159.96 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' ALA . 3.0 pt20 -121.53 40.53 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.1 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.716 HG21 HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.27 -175.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.49 148.45 68.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -38.05 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.98 -33.65 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -51.41 16.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 15' ' ' ILE . 20.1 mt -62.08 -39.68 93.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -60.16 -59.95 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.99 -45.69 67.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.728 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.3 t-105 -52.92 -61.43 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.034 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -45.85 -42.8 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 22' ' ' ALA . 88.0 t -63.25 -63.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 77.5 t -42.79 -39.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.56 -48.85 77.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.03 7.81 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.3 mmtm -119.07 -77.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.38 61.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.2 m-85 53.21 51.98 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -95.77 171.58 6.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -1.25 10.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -104.2 1.54 30.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 33' ' ' SER . 1.4 p -110.41 -23.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.865 HD11 ' CG2' ' A' ' 142' ' ' VAL . 44.3 mt -62.6 -41.4 72.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -37.27 2.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.751 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.3 ttp -67.94 -33.98 75.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.728 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t80 -75.35 -44.62 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 13.4 p -59.85 -43.44 94.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.67 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.32 -28.93 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 39.7 t -107.67 38.5 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -49.64 46.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.15 58.4 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.09 165.04 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.622 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -88.32 -170.84 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.779 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -32.32 67.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' OD2' ' CD ' ' A' ' 1' ' ' PRO . 83.4 m-20 -71.99 -60.33 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 134' ' ' ILE . 4.7 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.79 -42.68 81.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -60.91 -48.32 82.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.451 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.38 -32.75 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 134' ' ' ILE . 3.0 mp -69.64 -45.19 69.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.97 -29.58 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.527 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -62.01 -37.62 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.44 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -43.27 -53.48 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.89 55.48 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -96.65 116.24 28.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.646 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -57.24 -31.31 65.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.33 -50.35 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.15 -54.5 45.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.6 mmt -58.7 -36.96 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -53.21 60.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttm -59.81 -42.1 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.4 -34.86 76.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.47 -49.35 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.76 -43.45 97.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.829 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.74 -60.46 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.37 -48.54 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.38 -37.02 69.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 72' ' ' THR . 7.3 tt0 -63.2 -52.14 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.584 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.62 -44.53 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.88 -48.24 67.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 83' ' ' LEU . 9.3 mt-10 -59.37 -35.38 73.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -60.15 -46.82 88.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.168 . . . . 0.0 108.031 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -66.68 -42.02 87.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -43.81 89.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.9 mt -71.12 -79.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' H ' ' CD2' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -93.1 111.85 53.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.06 2.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' HB ' ' NE ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -176.81 131.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -110.11 96.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.581 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.42 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -127.79 -139.04 4.78 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.89 41.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD13 ' HD3' ' A' ' 97' ' ' ARG . 2.1 tt -162.65 128.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.828 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -40.2 154.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.01 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.29 -1.74 6.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mm-40 -82.05 132.22 35.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 0.738 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.783 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -71.68 155.74 40.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 91' ' ' ILE . 6.3 ttp85 -129.97 167.55 18.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 100' ' ' ARG . 4.7 mt-10 -125.17 93.32 45.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.437 ' CG ' HG21 ' A' ' 108' ' ' THR . 18.3 Cg_endo -75.02 51.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 84' ' ' HIS . 6.0 mmp_? 45.71 -173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . -43.41 -39.35 4.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.2 m -40.53 -30.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.599 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 15.8 t0 -70.44 -51.39 29.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' A' ' 129' ' ' ILE . 4.5 mt -66.73 -12.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -74.94 -23.65 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.18 15.94 56.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.8 p -79.53 -38.48 34.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.437 HG21 ' CG ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -115.18 -15.53 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.418 ' CB ' ' CZ3' ' A' ' 117' ' ' TRP . 27.7 p -111.58 142.99 43.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.553 HG22 ' HB2' ' A' ' 113' ' ' GLU . 9.1 t -114.39 -146.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD21 ' NE2' ' A' ' 12' ' ' HIS . 64.8 tp -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -65.11 -48.0 75.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 110' ' ' THR . 0.3 OUTLIER -56.48 -50.17 72.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 110' ' ' THR . 63.4 mt-30 -60.61 -36.03 77.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' THR . 0.9 OUTLIER -61.29 -40.95 87.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -65.29 -49.65 60.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.783 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 0.0 OUTLIER -55.02 -37.53 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.0 ttm -85.64 -16.41 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 119' ' ' THR . 49.5 m -112.13 21.89 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 5.8 m-70 -113.15 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 46.9 m-80 -113.99 119.65 40.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 162.59 92.52 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.06 -2.475 . . . . 0.0 111.019 0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 117.52 4.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.696 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.4 mp -83.45 123.49 76.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.831 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.0 48.8 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.619 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -54.21 -31.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.14 -70.53 1.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.173 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' HG3' ' NZ ' ' A' ' 131' ' ' LYS . 21.8 tt0 -50.56 -33.35 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.5 mt -63.0 -57.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.12 -40.28 80.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER -58.26 -42.56 86.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -67.81 -36.33 80.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 41.5 m0 -64.56 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 52' ' ' LEU . 50.9 mt -44.33 -49.14 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -61.18 -36.3 71.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.82 -47.08 77.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.829 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.2 -50.03 62.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 141' ' ' ILE . 9.9 mt -53.2 -43.15 66.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.619 ' HA ' HD13 ' A' ' 37' ' ' ILE . 67.1 t30 -61.29 -46.26 91.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.236 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -36.13 80.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.9 mt -66.1 -48.74 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.865 ' CG2' HD11 ' A' ' 37' ' ' ILE . 22.5 t -64.08 -33.78 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -48.14 72.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -58.53 -45.97 87.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -52.48 -49.84 63.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.5 t -80.5 140.45 51.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 148' ' ' THR . 18.2 Cg_endo -75.0 71.22 5.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 148' ' ' THR . 9.7 t 32.99 89.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -109.83 77.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.0 pp -104.13 177.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -105.72 138.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.499 HG21 ' NE2' ' A' ' 13' ' ' GLN . 11.4 m -136.8 164.82 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -95.95 125.27 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.38 172.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 -48.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -67.41 -54.99 15.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 80.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -164.48 123.79 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.56 121.53 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.6 m -149.83 154.92 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.195 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.871 ' NE2' HD21 ' A' ' 111' ' ' LEU . 20.1 p80 -80.48 162.57 24.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' NE2' HG21 ' A' ' 3' ' ' VAL . 4.6 tt0 -130.87 40.82 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.34 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -82.51 -175.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.93 147.71 64.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.01 2.22 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -32.94 73.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.344 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.73 -49.67 20.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.704 HD11 HG21 ' A' ' 15' ' ' ILE . 23.5 mt -64.33 -40.47 95.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -60.57 -56.41 21.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -55.96 -45.25 78.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.717 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 64.8 t-105 -54.23 -60.52 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 107.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 20' ' ' LEU . 71.9 t -45.07 -41.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -67.27 -38.9 85.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE2' ' A' ' 39' ' ' MET . 55.6 t -61.68 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 12.2 t -60.17 -39.24 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.86 -35.96 73.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.1 -51.43 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.78 -72.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.592 1.183 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.49 93.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 18.4 m-85 48.47 74.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -131.38 174.43 4.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.89 -0.29 9.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 2.98 19.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -111.44 -20.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 142' ' ' VAL . 1.4 mm -65.67 -41.86 51.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.735 ' HE2' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -66.17 -34.5 78.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.717 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.5 t80 -75.84 -44.88 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -42.09 85.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.071 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -48.2 64.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -60.84 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.694 ' HB2' HD21 ' A' ' 52' ' ' LEU . 4.4 p -108.21 38.33 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -48.76 -49.75 37.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.69 47.49 0.46 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -76.77 160.31 29.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 0.8 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.609 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.1 p -82.56 -171.58 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.95 -37.3 2.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -71.51 -31.27 66.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.549 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 3.7 t70 -73.14 -60.13 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.727 HD22 HD12 ' A' ' 134' ' ' ILE . 8.2 mt -58.8 -33.59 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 13.7 t-20 -66.19 -43.43 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.37 1.044 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.21 -42.71 88.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.95 -43.01 95.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 134' ' ' ILE . 29.5 mt -68.46 -39.65 81.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -22.98 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -76.84 -30.23 56.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -42.88 165.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -35.81 -45.86 0.83 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 101.16 55.11 0.93 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.1 128.1 50.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.59 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 39.5 tt0 -60.93 -31.57 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.45 -50.13 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -58.57 -54.98 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -35.16 77.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 3.8 tm0? -55.7 -56.03 25.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 60.3 mtm -66.51 -31.47 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -61.82 -43.68 98.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -68.43 -47.79 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -52.99 -47.51 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.811 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.89 -60.06 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.1 mm -45.16 -51.13 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -57.47 -35.04 69.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.4 tt0 -63.35 -52.85 60.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.829 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.9 mp0 -53.14 -43.94 67.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.23 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.18 78.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.34 67.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.9 tt0 -61.17 -31.5 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -41.86 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.61 -47.22 56.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -56.67 -46.94 80.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.2 mt -71.1 -87.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -115.63 90.05 24.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 109.6 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 98' ' ' GLU . 7.3 p -83.41 87.8 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 176.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.25 75.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.95 106.8 0.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 86.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 96' ' ' MET . 64.7 mt -76.84 149.75 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -65.83 154.6 88.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.98 -2.13 5.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.819 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 23.5 mm-40 -94.93 146.46 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.604 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -42.28 165.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.382 1.051 . . . . 0.0 110.967 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -97.3 -178.98 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.2 tt0 -116.93 80.22 10.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 157.83 42.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' H ' ' NE ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -63.32 -147.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.44 -24.75 60.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -26.26 22.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -73.24 -42.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.1 HG23 HG23 ' A' ' 126' ' ' VAL . 37.2 mt -63.84 -20.95 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.99 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.74 29.75 41.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -81.13 -38.27 27.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.797 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -110.38 -21.11 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 96.2 p -114.84 161.4 18.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.6 p -105.85 -177.82 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 110.438 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.871 HD21 ' NE2' ' A' ' 12' ' ' HIS . 4.8 tp -55.09 -57.85 10.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -43.56 -45.7 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 7.7 mm-40 -59.04 -45.27 91.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 1.002 ' HG2' HG21 ' A' ' 126' ' ' VAL . 5.8 mt-30 -62.16 -31.6 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.5 mm -67.32 -43.4 87.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.17 -54.51 35.96 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.604 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.4 m-90 -55.08 -44.49 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.74 -15.06 61.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.6 m -114.77 21.13 14.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.6 OUTLIER -105.19 171.99 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.587 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 m120 -118.4 114.44 36.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 161.94 93.85 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.962 -0.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.14 5.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.6 mp -73.96 119.3 75.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.955 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -75.03 48.96 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.1 HG23 HG23 ' A' ' 104' ' ' ILE . 1.5 p -50.99 -35.61 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.03 -64.86 3.35 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.75 -39.32 58.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.955 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.6 mt -61.72 -56.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.553 ' HD2' HD12 ' A' ' 52' ' ' LEU . 6.6 t80 -57.09 -35.27 69.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -64.94 -39.57 93.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -68.43 -38.63 81.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.195 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.734 ' HB3' HD13 ' A' ' 73' ' ' ILE . 33.8 m0 -66.14 -58.0 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.948 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.727 HD12 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -45.72 -51.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.2 tp -64.31 -28.73 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.829 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.18 -47.61 82.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.811 ' N ' HG21 ' A' ' 72' ' ' THR . . . -69.19 -48.6 45.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 40' ' ' PHE . 15.7 mt -56.66 -31.62 64.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -71.74 -47.26 54.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -62.39 -34.73 77.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 138' ' ' LEU . 15.9 mt -71.76 -49.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -60.21 -31.6 48.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.408 1.067 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -62.55 -44.63 95.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -66.55 -45.95 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -51.21 -48.72 61.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 54.4 p 39.21 66.77 2.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.063 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.8 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 148' ' ' THR . 8.2 t -173.38 61.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.342 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.4 t -129.3 170.65 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.5 tt -149.67 168.2 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 151' ' ' LEU . 2.3 tm? . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.512 HD13 ' CE ' ' A' ' 118' ' ' MET . 2.4 mt -100.84 148.81 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.774 HG21 ' NE2' ' A' ' 13' ' ' GLN . 12.0 m -146.36 163.0 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 24.0 tt0 -104.17 114.42 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLN . 15.8 m-80 -45.45 169.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -67.08 -54.75 18.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -54.18 -60.94 2.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.23 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -149.46 123.02 9.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 116.26 18.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.72 154.83 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.712 ' NE2' HD21 ' A' ' 111' ' ' LEU . 6.9 p80 -93.79 155.91 16.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.774 ' NE2' HG21 ' A' ' 3' ' ' VAL . 24.5 mt-30 -134.88 45.13 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.86 -174.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.821 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.1 tt -86.96 -174.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 t -125.29 149.06 62.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.28 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -35.16 76.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.81 -56.08 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 15' ' ' ILE . 18.3 mt -57.39 -36.38 71.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -61.68 -60.62 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.85 66.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.629 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 48.4 t-105 -54.03 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.961 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG23 ' A' ' 58' ' ' THR . 53.9 t -43.61 -42.39 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' SD ' ' A' ' 39' ' ' MET . 46.1 t -63.7 -65.95 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.629 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 65.9 t -41.47 -39.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.75 -52.31 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.75 9.3 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.0 mmtm -119.51 -79.68 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 83.48 56.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.6 m-85 56.28 61.94 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 171.81 8.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.1 Cg_endo -74.97 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.49 19.83 12.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 30' ' ' LYS . 2.3 t -108.7 -16.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 7.2 mm -68.98 -42.23 22.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.04 -35.05 3.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.672 ' HE3' HD11 ' A' ' 43' ' ' LEU . 4.3 ttp -67.02 -37.01 83.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.657 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.5 t80 -74.66 -44.81 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.488 ' CB ' HG12 ' A' ' 135' ' ' ILE . 1.5 t -60.6 -37.95 83.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.11 -39.61 60.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.672 HD11 ' HE3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.84 -33.47 71.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' GLY . 79.4 p -77.9 -78.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -13.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 142.39 37.72 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.13 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.743 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -65.61 139.69 58.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.588 0.816 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -49.72 -179.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.356 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.98 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.519 1.799 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -32.9 59.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.821 ' CG ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -69.82 -55.66 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 3.9 mt -58.61 -47.28 84.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.86 -42.23 75.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.23 -44.76 94.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.546 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -62.28 -35.4 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD11 ' CD1' ' A' ' 134' ' ' ILE . 92.7 mt -68.67 -45.53 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -65.35 -32.04 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.585 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -63.78 -38.35 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.26 167.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.97 -47.86 5.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 103.13 54.95 0.83 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.1 m170 -91.51 129.86 37.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.02 -35.02 77.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.24 54.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.63 -53.67 54.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.242 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.58 -37.58 76.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -52.0 67.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.246 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.87 -41.15 90.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 111.016 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 141' ' ' ILE . 5.9 tt -66.14 -34.23 77.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -63.52 -49.08 74.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.84 -43.28 99.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.767 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.61 -60.14 4.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.08 . . . . 0.0 110.396 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.9 mm -47.77 -51.58 7.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -57.85 -31.27 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.48 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 136' ' ' LEU . 19.4 mm-40 -46.4 -43.24 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.44 81.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.15 -48.64 67.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.9 tt0 -59.63 -36.31 76.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -40.6 96.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 108.071 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.73 -48.19 80.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -32.63 70.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.4 mt -79.49 -81.29 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -75.7 114.07 32.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . 18.5 Cg_endo -74.96 151.19 39.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 98' ' ' GLU . 38.6 t -153.05 115.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -152.43 52.87 0.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.626 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 40.47 83.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.71 -141.47 9.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 149.15 36.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.837 HD11 ' O ' ' A' ' 96' ' ' MET . 4.9 tt -172.39 159.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.767 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -79.54 154.29 76.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 85.16 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.04 -1.4 5.82 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.767 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -84.04 148.54 26.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 0.746 . . . . 0.0 110.309 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.837 ' O ' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -58.14 159.15 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -179.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 6.0 tp10 -124.14 74.16 58.32 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' CB ' ' HB2' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.03 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 3.5 mtm105 -122.48 -91.68 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -108.85 -49.52 0.78 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -41.78 -28.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 0.7 OUTLIER -71.68 -48.17 49.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.992 HG23 HG23 ' A' ' 126' ' ' VAL . 38.3 mt -59.72 -16.38 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.1 -20.9 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.5 66.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -90.11 -32.38 16.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 0.772 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -105.81 -20.01 13.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -114.84 160.94 18.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -95.92 178.42 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.712 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.1 tp -59.71 -48.51 81.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -53.65 -46.66 70.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 40.9 mm-40 -59.8 -40.25 87.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.51 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.2 tp60 -58.08 -52.46 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.215 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 mp -61.23 -30.46 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.26 -56.56 22.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.773 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 2.8 m-90 -57.49 -43.13 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.512 ' CE ' HD13 ' A' ' 2' ' ' ILE . 3.5 tpp -73.6 -13.45 61.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 119' ' ' THR . 37.5 m -109.1 20.68 18.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.58 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -102.5 172.06 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -120.97 110.79 34.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 161.35 95.0 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.014 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.07 119.13 5.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.83 121.89 77.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.881 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.1 47.5 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.18 -34.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.57 -66.33 2.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.86 -34.53 54.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 125' ' ' PRO . 9.1 mt -65.0 -56.87 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.14 -39.04 74.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -45.28 93.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.84 -37.03 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.856 ' HB3' HD13 ' A' ' 73' ' ' ILE . 29.0 m0 -66.82 -63.79 0.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 107.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.703 ' CD1' HD11 ' A' ' 56' ' ' LEU . 5.5 mt -44.44 -45.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -66.15 -34.96 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.705 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.65 -47.13 77.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.767 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.39 -51.07 34.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -48.98 -46.23 43.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 0.714 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.8 t30 -63.74 -45.67 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -36.45 68.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -73.71 -45.68 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.609 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.1 t -57.58 -33.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -49.2 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 ttp -78.67 -18.21 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.12 43.08 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -92.17 112.38 54.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.35 9.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.9 m -53.72 150.03 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.9 t 60.59 157.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.61 127.86 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.27 152.26 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.64 163.93 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' ASN . 27.8 tt0 -108.19 121.11 44.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLN . 9.2 m-80 -48.8 176.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.88 -44.94 14.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.21 74.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.98 157.63 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mmt -107.27 123.11 47.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 m -137.94 154.27 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.9 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.3 p80 -91.78 154.49 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -119.55 39.8 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.54 -173.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.72 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -89.5 -176.28 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -124.92 146.2 52.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.3 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -68.72 -32.32 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.74 -49.65 20.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD11 HG21 ' A' ' 15' ' ' ILE . 24.4 mt -64.96 -41.28 95.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.69 -59.25 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.68 -44.7 66.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.584 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 45.2 t-105 -53.84 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 20' ' ' LEU . 74.9 t -44.71 -40.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -66.88 -39.36 87.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 22' ' ' ALA . 54.5 t -61.04 -58.09 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ALA . 4.5 t -59.5 -39.52 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.19 -32.75 71.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.58 -51.88 8.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 13.2 mptt -91.47 -70.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.583 1.177 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 89.22 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.664 ' HE1' HG21 ' A' ' 59' ' ' VAL . 4.7 m-85 58.5 79.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.427 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -119.07 173.8 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.681 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.08 -0.77 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -117.18 16.15 14.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 t -112.18 -17.76 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.932 HD11 ' CG2' ' A' ' 142' ' ' VAL . 7.2 mm -63.78 -42.24 69.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -37.15 2.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.491 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -65.23 -36.41 84.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.628 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.1 t80 -75.11 -44.59 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.9 p -60.68 -35.52 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.938 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.04 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 52' ' ' LEU . 4.0 t -112.91 41.22 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -49.46 52.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.55 59.6 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.688 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -90.99 164.23 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 0.81 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.616 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -87.07 -171.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.616 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -74.08 -33.58 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.688 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -70.21 -57.66 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.824 HD22 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -54.75 -44.27 73.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.45 -37.39 85.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.62 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -65.96 -46.42 78.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.577 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.26 -32.55 73.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 134' ' ' ILE . 12.0 mt -75.05 -45.11 43.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -21.21 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -66.2 -40.61 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.664 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.41 171.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.11 -55.13 25.63 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.06 55.45 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 2.1 m-70 -80.6 116.7 20.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.9 -38.79 79.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.77 -50.11 63.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.0 -53.38 58.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.21 -37.49 74.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -54.45 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 22.7 mtm -59.81 -37.34 78.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -68.5 -46.48 69.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.02 -48.34 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.717 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.32 -60.64 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -47.05 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.69 -34.17 72.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.15 -61.67 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 3.6 tp10 -46.28 -44.01 16.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.535 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.12 -48.07 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.22 -49.1 64.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.3 mt-10 -59.71 -37.85 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' HIS . 1.7 t-105 -57.92 -48.86 78.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -60.75 -37.5 82.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -39.5 91.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.379 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 79' ' ' GLU . 2.1 mt -81.57 -67.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' TRP . 43.2 m-70 -69.77 152.46 96.09 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.704 ' C ' HG13 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -74.98 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.704 HG13 ' C ' ' A' ' 85' ' ' PRO . 1.5 m 61.8 114.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -149.55 163.82 36.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.616 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.58 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . 46.06 93.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.74 113.63 1.85 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.96 54.6 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.838 HD11 ' HB2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER 47.94 -175.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.779 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -90.1 154.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 85.24 1.54 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.98 -1.07 6.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.779 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 10.4 mm-40 -106.1 144.55 32.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.284 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.784 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.3 ttt -123.65 103.85 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.838 ' HB2' HD11 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.21 -179.65 4.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' O ' HG21 ' A' ' 86' ' ' VAL . 1.5 tt0 -55.16 116.18 10.88 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.96 153.84 42.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 HH21 ' N ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -101.57 30.1 4.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.913 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 89.29 -52.28 3.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.583 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.3 t -43.15 -39.47 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.4 t0 -62.88 -42.36 99.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.913 HD12 ' HA2' ' A' ' 101' ' ' GLY . 34.9 mt -56.65 -18.14 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -78.89 -21.55 47.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.75 15.71 81.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 m -80.16 -34.86 37.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.402 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.9 m -101.12 -26.76 13.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.343 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 p -114.09 162.33 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -100.08 -179.62 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.446 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.9 HD21 ' NE2' ' A' ' 12' ' ' HIS . 12.5 tp -56.04 -52.09 65.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -47.12 29.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.512 ' HG2' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -60.77 -40.06 91.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.734 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -59.02 -47.26 85.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.41 -35.17 68.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.01 -53.87 41.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.784 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 0.6 OUTLIER -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 tpp -71.65 -16.87 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 119' ' ' THR . 97.4 m -112.63 21.38 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.172 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' NE2' ' SD ' ' A' ' 96' ' ' MET . 0.2 OUTLIER -93.17 173.8 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.595 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.0 m-20 -127.8 105.24 20.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.05 158.7 98.79 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.017 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.95 117.92 5.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.758 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.4 mp -71.76 129.0 88.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.844 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -74.95 48.38 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.558 1.82 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.734 HG21 ' HG2' ' A' ' 114' ' ' GLN . 2.4 p -52.42 -33.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.7 -69.83 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.33 -38.19 12.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 125' ' ' PRO . 14.5 mt -60.41 -56.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.1 t80 -57.36 -39.16 75.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -56.79 -45.4 82.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.34 -34.05 75.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.535 ' CH2' ' HA ' ' A' ' 77' ' ' ALA . 29.5 m0 -62.79 -66.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 56' ' ' LEU . 21.8 mt -45.14 -49.27 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -59.33 -34.55 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -58.23 -48.51 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.717 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.26 -50.22 61.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.628 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 16.4 mt -53.9 -43.1 69.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.414 0.714 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -60.73 -46.23 91.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -61.92 -36.17 80.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 65' ' ' ALA . 95.5 mt -67.29 -49.52 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.932 ' CG2' HD11 ' A' ' 37' ' ' ILE . 75.9 t -63.65 -30.56 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -61.49 -47.45 85.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 58.6 ttp -67.68 -43.84 79.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.62 -50.69 62.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.5 p 39.35 66.25 3.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 179.17 6.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 148' ' ' THR . 7.7 t -150.21 59.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.2 107.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.935 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.6 tp -146.64 150.61 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.404 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 1.5 mt -117.02 154.23 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 2' ' ' ILE . 1.1 m -149.82 166.17 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -110.01 138.43 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -86.46 65.65 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.3 tp 83.32 -48.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER 164.37 -24.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 9' ' ' GLN . . . -44.48 -23.68 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 161.17 159.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.66 129.63 41.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG22 HD22 ' A' ' 5' ' ' ASN . 27.3 m -129.48 154.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.855 ' NE2' HD21 ' A' ' 111' ' ' LEU . 18.6 p80 -95.06 154.41 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -116.62 40.63 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 45.8 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -84.01 -176.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.37 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -126.66 147.9 62.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.47 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.58 79.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -72.53 -54.04 10.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.5 mt -61.4 -37.9 85.13 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.83 -56.72 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -56.55 -45.28 81.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 32.6 t-105 -53.03 -62.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.7 t -45.32 -43.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.82 96.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 ' SD ' ' A' ' 39' ' ' MET . 72.7 t -62.86 -66.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 90.2 t -42.07 -39.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -49.76 76.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -90.07 7.69 36.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mptt -120.23 -79.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.09 59.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.901 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 11.8 m-85 56.43 52.26 10.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -83.13 172.95 8.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.0 Cg_endo -74.98 -1.44 11.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.17 19.12 15.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 30' ' ' LYS . 2.1 t -109.73 -23.37 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.1 mt -63.14 -41.77 71.77 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.1 -36.27 2.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.55 ' SD ' HG11 ' A' ' 26' ' ' VAL . 1.4 ttp -66.43 -37.91 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' HE2' HG21 ' A' ' 134' ' ' ILE . 4.6 t80 -74.03 -43.49 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' CB ' HG12 ' A' ' 135' ' ' ILE . 12.6 p -60.39 -39.03 85.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.25 -47.56 64.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -63.16 -25.96 68.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.619 ' CB ' HD21 ' A' ' 52' ' ' LEU . 51.5 p -103.32 36.4 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.8 -52.54 48.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.599 1.187 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.06 57.53 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.05 161.42 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.612 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -86.28 -170.96 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 1.7 pt20 -75.73 -30.48 59.25 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' OD2' HG23 ' A' ' 48' ' ' THR . 81.6 m-20 -71.1 -58.6 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.933 HD13 HD12 ' A' ' 134' ' ' ILE . 6.0 mt -56.5 -46.68 80.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -57.53 -41.27 80.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.729 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.57 -41.31 94.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.395 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.525 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.9 mmm -65.61 -38.42 89.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD11 ' CD1' ' A' ' 134' ' ' ILE . 24.1 mt -68.67 -46.25 69.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -67.56 -26.4 66.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.692 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -65.18 -37.65 88.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.559 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -43.29 166.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.91 -83.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.83 55.2 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 31.4 m170 -87.73 95.48 10.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.523 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -57.42 -39.25 75.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -49.33 73.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.901 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -56.92 -53.13 61.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.73 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.57 -55.08 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 141' ' ' ILE . 65.6 mtm -59.96 -41.63 92.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -65.56 -34.35 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -63.86 -49.09 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.97 -42.34 98.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.793 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -61.27 -59.32 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.783 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.5 mm -45.61 -52.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -58.31 -34.61 70.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.6 mt-10 -64.48 -61.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.724 ' OE1' HD13 ' A' ' 136' ' ' LEU . 2.7 tp10 -46.3 -42.21 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -60.88 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.89 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -60.38 -35.67 76.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.457 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -59.36 -47.5 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.977 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -58.95 -48.41 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -37.59 77.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.3 mt -72.18 -55.44 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -114.41 92.22 27.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.643 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' VAL . 18.2 Cg_endo -74.99 63.73 6.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 98' ' ' GLU . 74.0 t -39.81 141.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.84 58.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.05 178.4 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.38 -142.18 1.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.578 1.174 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 67.93 5.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 tt -90.92 137.13 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.849 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -60.49 153.07 62.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.8 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.99 -0.51 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.574 1.171 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -76.06 55.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 36.04 82.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 111.067 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttp-105 -104.77 149.53 25.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.707 ' O ' HG11 ' A' ' 86' ' ' VAL . 4.9 mm-40 -58.2 114.31 8.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.523 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.05 151.34 39.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 86' ' ' VAL . 76.3 mtm180 -102.48 32.73 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 90.0 -53.15 3.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 82.0 p -45.76 -39.94 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -65.17 -37.73 88.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.109 HG23 HG23 ' A' ' 126' ' ' VAL . 43.9 mt -57.77 -23.39 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -73.09 -23.04 60.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.9 8.29 72.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.8 m -65.52 -37.94 88.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.425 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.7 m -109.36 -21.66 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.446 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 94.0 p -115.93 160.37 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.634 1.209 . . . . 0.0 109.947 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.6 p -109.89 -176.26 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.447 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.855 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.9 tp -54.94 -56.29 21.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -45.14 -45.53 11.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 21.5 mt-10 -60.59 -42.58 97.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.895 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.7 OUTLIER -66.62 -32.49 73.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 111' ' ' LEU . 3.9 mm -64.69 -45.82 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.76 -51.07 58.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.105 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.729 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.7 m0 -52.94 -44.44 67.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.471 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.3 OUTLIER -63.16 -27.73 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 119' ' ' THR . 87.8 m -111.86 22.09 15.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 123' ' ' PRO . 5.0 t60 -85.03 174.53 9.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 45.2 t-20 -127.52 103.56 22.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.03 160.6 96.29 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.986 0.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.3 Cg_endo -74.96 118.11 5.16 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.438 1.757 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.729 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.1 mp -77.57 122.77 86.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.779 ' O ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.97 49.43 2.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.414 1.744 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.109 HG23 HG23 ' A' ' 104' ' ' ILE . 2.1 p -47.08 -31.82 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.47 -60.39 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.17 -40.54 64.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 125' ' ' PRO . 4.3 mt -60.21 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -53.84 -37.88 64.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 111.059 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -58.77 -45.47 89.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -69.14 -34.42 74.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.783 ' HB3' HD13 ' A' ' 73' ' ' ILE . 26.3 m0 -62.75 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.05 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.933 HD12 HD13 ' A' ' 52' ' ' LEU . 55.6 mt -44.48 -50.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -58.0 -35.64 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -58.31 -47.58 83.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.793 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.58 -50.62 58.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.629 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.6 mt -49.28 -47.34 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.13 -46.05 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.615 1.197 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -36.65 72.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.691 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.7 mt -63.96 -48.89 84.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.49 HG21 HD12 ' A' ' 37' ' ' ILE . 2.4 t -65.28 -28.1 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -65.53 -44.85 85.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 144' ' ' MET . 18.8 tmm? -68.49 -41.06 80.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.53 -51.39 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 91.8 p 42.19 79.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 148' ' ' THR . 8.1 t -118.91 57.94 0.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.08 87.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt -135.1 129.83 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' VAL . 78.1 mt -114.83 150.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 m -129.75 165.62 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.458 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 3.6 mt-30 -112.3 122.49 47.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -49.54 178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.71 -53.77 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.375 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -52.99 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 71.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -148.13 158.21 43.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.783 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.458 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.98 125.0 51.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' ILE . 29.9 m -142.2 153.53 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.903 ' NE2' HD21 ' A' ' 111' ' ' LEU . 27.8 p80 -93.35 154.03 18.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -118.66 41.3 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.71 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.867 HD13 ' CG2' ' A' ' 54' ' ' THR . 1.1 tt -91.87 -175.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.14 146.5 54.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -68.82 -33.57 74.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.68 -50.93 18.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 15' ' ' ILE . 22.1 mt -64.21 -41.24 97.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -58.37 -59.58 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.65 64.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.487 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 39.3 t-105 -53.4 -59.28 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 55.9 t -44.68 -42.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -37.97 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.7 t -62.93 -44.57 99.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ALA . 23.6 t -68.22 -41.03 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -31.29 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.57 -36.23 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -106.98 -76.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.37 74.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.831 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.2 m-85 58.54 62.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 142' ' ' VAL . 0.5 OUTLIER -97.83 172.77 4.54 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.967 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.94 -1.73 11.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.04 21.78 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.3 t -109.99 -11.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 14.3 mm -68.43 -42.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -34.23 3.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.495 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.63 -37.47 82.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 111.044 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD2' ' CD1' ' A' ' 138' ' ' LEU . 4.4 t80 -74.02 -45.46 49.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.471 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.3 p -61.31 -36.54 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.82 -35.46 60.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -44.18 88.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 28.9 t -76.93 -78.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 81.58 -17.8 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.01 37.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 51' ' ' ASP . . . -69.87 163.67 25.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.49 -173.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.2 Cg_endo -74.95 -32.69 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -76.14 -37.12 58.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.7 m-20 -68.12 -56.92 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 mt -60.14 -39.78 87.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.3 t30 -57.93 -43.93 86.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.867 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -68.58 -32.99 73.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -65.84 -41.69 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.063 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD11 HD13 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -75.39 -45.45 39.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.1 -26.77 68.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -60.06 -38.41 82.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.346 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.831 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.93 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -58.06 -76.28 0.22 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.488 1.117 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.94 55.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 10.3 m-70 -80.62 99.27 8.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 0.0 109.585 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.02 -43.41 74.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -50.03 72.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -59.22 -50.55 73.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -58.48 -37.18 74.97 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -60.2 -54.88 40.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -59.81 -34.43 73.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -66.7 -36.19 81.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -47.75 68.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -46.76 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.853 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.27 -60.72 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.777 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.82 -49.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -56.7 -34.55 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.09 -63.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.995 ' HG3' HD13 ' A' ' 136' ' ' LEU . 1.1 mm-40 -48.01 -35.97 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -63.43 -49.83 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -48.8 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 83' ' ' LEU . 2.1 tt0 -60.03 -36.62 77.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -58.46 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 107.963 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -57.74 -47.97 80.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -59.02 -38.53 79.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.7 mt -75.41 -84.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -70.25 113.38 17.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.57 33.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.696 HG11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 p -176.6 56.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.93 57.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.565 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.68 176.29 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.611 1.194 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.43 121.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.81 4.88 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tt -50.13 166.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.857 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -72.57 153.9 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 85.54 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.6 -1.28 5.99 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.857 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 1.7 mm-40 -82.57 138.02 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.665 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -58.61 143.15 47.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.27 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.357 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.48 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -52.42 117.11 9.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.244 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.529 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.1 139.64 24.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.696 ' HG3' HG11 ' A' ' 86' ' ' VAL . 14.3 mtm180 -93.29 35.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.868 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 83.58 -46.69 3.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 t -45.53 -40.07 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -69.32 -37.9 77.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.902 HG23 HG23 ' A' ' 126' ' ' VAL . 75.2 mt -57.33 -17.88 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.565 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.74 -23.32 27.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.73 59.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.0 m -66.0 -39.16 90.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.0 m -117.17 -14.63 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 4.6 p -115.89 161.11 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 p -106.3 179.64 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.903 HD21 ' NE2' ' A' ' 12' ' ' HIS . 16.2 tp -55.83 -42.81 76.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -45.72 79.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.5 OUTLIER -59.83 -45.43 92.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.819 ' HG3' HG21 ' A' ' 126' ' ' VAL . 3.2 mp0 -57.54 -47.74 81.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.4 -38.56 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.93 -51.39 55.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.665 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.0 OUTLIER -56.88 -33.86 67.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.7 tpp -84.13 -16.99 41.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 119' ' ' THR . 96.8 m -110.53 20.51 17.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.11 166.25 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.677 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.6 m120 -113.99 119.42 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.9 162.51 92.66 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.994 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.24 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.59 HD13 ' HD1' ' A' ' 117' ' ' TRP . 2.8 mp -82.45 125.92 75.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.08 51.22 2.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.902 HG23 HG23 ' A' ' 104' ' ' ILE . 1.9 p -52.48 -34.38 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.87 -71.02 1.06 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -48.64 -31.91 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 20.5 mt -65.12 -55.4 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.575 1.172 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.4 t80 -60.67 -38.58 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.451 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -33.03 73.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.777 ' CE3' HG23 ' A' ' 73' ' ' ILE . 16.3 m0 -61.89 -69.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.035 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 1.038 HD13 HD11 ' A' ' 56' ' ' LEU . 47.0 mt -44.82 -49.18 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.3 mp -57.21 -36.06 50.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.995 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -59.27 -47.62 84.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.853 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.13 -50.13 53.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.62 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 14.5 mt -52.04 -46.91 65.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.763 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.476 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.2 t30 -59.85 -46.09 90.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.14 -36.43 75.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.638 HD13 ' HE2' ' A' ' 32' ' ' PHE . 16.5 mt -67.51 -48.97 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 34' ' ' PRO . 2.1 t -58.07 -35.76 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.87 77.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.18 -45.92 89.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -54.0 -52.24 61.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.2 t 39.14 68.63 1.91 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 148' ' ' THR . 9.5 t -171.89 58.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -177.15 170.55 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.07 163.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 12' ' ' HIS . 3.5 mt -90.82 153.38 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.804 HG21 ' NE2' ' A' ' 13' ' ' GLN . 14.4 m -151.02 161.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -107.31 118.93 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.05 -57.64 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.48 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.21 62.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.14 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -138.12 156.4 47.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.406 ' C ' HG13 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -107.85 116.95 32.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' VAL . 11.5 m -151.22 155.03 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 111' ' ' LEU . 14.8 p80 -103.64 156.1 18.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.804 ' NE2' HG21 ' A' ' 3' ' ' VAL . 12.0 mt-30 -113.29 41.79 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.0 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -79.13 -173.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 147.46 61.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -40.73 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -65.5 -31.43 72.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.79 -48.95 22.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.1 mt -62.75 -40.5 97.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.12 -60.89 3.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.18 -45.38 65.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.65 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 61.9 t-105 -53.26 -62.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 86.1 t -43.14 -41.9 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -42.73 95.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG21 ' CE ' ' A' ' 39' ' ' MET . 76.0 t -62.59 -62.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.525 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 89.1 t -48.52 -41.09 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.91 82.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.84 1.78 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -119.39 -85.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 109.371 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 84.01 70.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 8.8 m-85 53.31 100.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.552 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -155.65 172.64 5.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -1.32 11.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.63 -8.69 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 33' ' ' SER . 0.4 OUTLIER -108.13 -22.23 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.675 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.3 mt -61.64 -42.33 83.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -35.81 2.95 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.798 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.0 mtp -68.24 -34.76 76.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 5.4 t80 -75.26 -44.55 45.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' HG12 ' A' ' 135' ' ' ILE . 6.6 p -62.49 -37.96 88.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.49 -38.21 62.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.98 -44.87 94.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.238 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 46' ' ' GLY . 5.6 t -84.68 -82.19 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 78.0 -17.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 164.2 38.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -68.68 139.84 55.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 0.82 . . . . 0.0 109.369 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.635 HG22 ' CD ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -49.79 -178.31 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' HG22 ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.99 -36.28 2.65 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.427 1.751 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.97 -34.89 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 1' ' ' PRO . 71.6 m-20 -68.85 -54.33 16.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 6.9 mt -56.73 -53.05 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -53.37 -41.0 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -57.94 10.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.57 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -49.62 -38.22 31.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 134' ' ' ILE . 51.9 mt -68.66 -45.86 70.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.27 -34.17 74.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.621 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.56 -39.5 93.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.351 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.41 166.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -40.33 -64.51 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.39 55.17 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 1.4 m170 -91.98 127.74 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.59 -35.43 77.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.3 -50.09 42.89 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.782 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.79 -53.66 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -60.75 -37.87 83.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.98 -53.43 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -60.93 -44.23 97.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.6 OUTLIER -57.95 -39.08 77.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.36 -48.39 75.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -55.17 -44.76 75.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.855 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.84 -60.91 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.773 HG23 ' CE3' ' A' ' 133' ' ' TRP . 2.6 mt -47.8 -50.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -64.33 -65.68 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HG3' HD13 ' A' ' 136' ' ' LEU . 4.1 mm-40 -46.6 -37.35 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.709 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -61.45 -50.9 70.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.12 73.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.82 -34.47 76.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.99 -45.99 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -59.25 -42.55 91.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.43 -70.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -70.6 113.45 18.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 97.58 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.7 p -171.11 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -164.98 50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.63 -176.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.69 107.95 0.82 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.03 2.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.597 1.841 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.628 HG22 ' HB2' ' A' ' 95' ' ' GLN . 88.1 mt -59.67 145.68 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.842 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -43.22 152.34 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 85.81 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.26 -2.66 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 29.5 mm-40 -87.28 138.95 31.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 11.9 ttt -63.59 125.02 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.604 ' HA ' HD13 ' A' ' 91' ' ' ILE . 7.4 mtm180 -85.19 -176.94 6.38 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 3.4 pm0 -131.41 62.36 64.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.665 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -75.02 170.65 19.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.433 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 24.5 mmt180 -154.21 93.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . 129.48 -96.9 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 m -41.71 -43.23 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 8.9 p-10 -58.47 -47.77 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.724 HD13 HG21 ' A' ' 129' ' ' ILE . 28.5 mt -64.68 -20.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -71.96 -23.44 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.89 22.13 79.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.9 m -89.17 -35.82 16.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.468 0.746 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 m -107.81 -20.97 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.364 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -114.91 159.45 20.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 p -107.55 -177.17 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 12' ' ' HIS . 4.5 tp -56.52 -59.93 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -44.76 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -43.89 98.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' A' ' 126' ' ' VAL . 2.4 mm100 -64.97 -37.33 87.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.576 HD11 ' HD2' ' A' ' 12' ' ' HIS . 20.5 mm -60.98 -44.99 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.86 86.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.665 ' CZ2' ' CG ' ' A' ' 99' ' ' PRO . 6.5 m0 -61.16 -38.7 87.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.447 ' HG3' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -68.13 -39.31 82.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 36.6 m -94.29 21.85 6.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 123' ' ' PRO . 2.0 t-80 -92.47 167.32 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.7 m120 -119.22 109.41 38.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.97 165.71 85.2 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.974 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.1 Cg_endo -75.0 118.06 5.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.433 HG12 ' CZ ' ' A' ' 100' ' ' ARG . 3.2 mt -72.65 122.62 88.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.817 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.1 Cg_endo -74.96 48.47 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.575 1.829 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.653 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.1 -31.82 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.13 -71.68 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.99 -35.81 7.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.817 HD12 ' C ' ' A' ' 125' ' ' PRO . 21.4 mt -62.64 -59.11 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.78 -39.06 68.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -58.24 -47.42 83.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.54 -32.87 73.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.773 ' CE3' HG23 ' A' ' 73' ' ' ILE . 14.6 m0 -62.33 -69.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.5 mt -44.47 -49.14 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -57.94 -36.05 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.985 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -58.73 -46.92 86.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.855 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.41 -49.86 72.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 40' ' ' PHE . 31.0 mt -50.24 -47.26 55.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.756 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -59.8 -45.97 90.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.37 -36.43 75.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.717 HG21 ' HD2' ' A' ' 32' ' ' PHE . 79.9 mt -65.86 -49.11 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 37' ' ' ILE . 2.0 t -62.8 -34.01 63.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -64.47 -48.88 73.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -66.79 -45.89 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -54.08 -52.27 61.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.0 t 41.56 77.71 0.42 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.964 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -178.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.4 m -97.81 -60.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 56.0 p -166.72 117.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.2 mt 64.44 105.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.0 mt -111.54 141.92 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 HG21 ' NE2' ' A' ' 13' ' ' GLN . 22.6 m -130.52 165.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -96.59 132.0 42.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -56.2 174.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -49.7 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -67.07 -55.4 14.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.2 80.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -163.54 124.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.1 mmt -69.56 128.59 37.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.07 155.13 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.872 ' NE2' HD21 ' A' ' 111' ' ' LEU . 29.0 p80 -93.27 153.69 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' NE2' HG21 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -116.47 40.73 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.95 -173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -88.86 -175.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.42 146.58 52.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -67.07 -32.37 73.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -50.22 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 15' ' ' ILE . 21.1 mt -63.02 -41.7 99.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.586 1.179 . . . . 0.0 109.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -59.18 -61.47 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.58 -44.3 65.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.582 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 38.5 t-105 -52.7 -58.51 6.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.9 t -46.65 -42.26 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -66.58 -37.3 84.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.929 HG21 ' HE2' ' A' ' 39' ' ' MET . 2.8 t -63.93 -44.91 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.1 t -67.83 -40.32 83.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.413 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.27 -30.71 71.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.25 -32.08 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.701 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -108.17 -76.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.34 75.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.992 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 5.6 m-85 58.36 62.2 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -108.71 174.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.961 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -74.97 -1.52 11.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.94 12.56 18.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG13 ' CH2' ' A' ' 23' ' ' TRP . 3.0 t -107.98 -25.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.673 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.5 mt -61.53 -42.16 82.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.07 -33.26 4.65 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.929 ' HE2' HG21 ' A' ' 26' ' ' VAL . 4.3 mmm -69.77 -37.56 76.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.609 ' CE1' ' CE ' ' A' ' 55' ' ' MET . 1.7 t80 -74.06 -43.68 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' CB ' HG12 ' A' ' 135' ' ' ILE . 5.6 p -61.67 -42.45 98.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.05 -33.62 65.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.37 88.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t -79.59 -80.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.4 tm-20 84.01 -24.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.55 162.52 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.579 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.05 -172.62 0.37 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -74.99 -32.82 5.08 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -37.03 57.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 15' ' ' ILE . 38.6 m-20 -67.35 -57.14 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.771 HD13 HD12 ' A' ' 134' ' ' ILE . 4.2 mt -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 9.2 t30 -55.85 -42.21 75.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.603 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.37 -46.16 87.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.609 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 2.5 mmm -60.36 -33.32 72.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.902 HD11 ' CD1' ' A' ' 134' ' ' ILE . 63.1 mt -75.63 -46.46 31.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.34 -38.6 87.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.563 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.93 167.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -53.45 -71.56 0.67 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.05 55.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 39.2 m170 -85.52 106.32 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.648 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.52 -35.75 77.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.31 -50.26 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.992 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -60.73 -53.73 53.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.0 mmt -58.9 -36.95 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -59.11 -52.87 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -40.69 89.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.2 tt -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.369 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.91 71.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.06 -43.53 91.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.727 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.27 -60.27 4.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.95 -45.59 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.41 -40.1 85.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -64.74 -59.81 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 5.0 tp10 -46.56 -39.35 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' ' CH2' ' A' ' 133' ' ' TRP . . . -62.93 -52.34 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.36 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.45 -38.7 81.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.4 t-105 -58.74 -57.79 11.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.35 -29.85 69.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.11 -43.41 95.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 84' ' ' HIS . 4.6 pp -96.91 -9.54 28.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 83' ' ' LEU . 78.0 m-70 -116.9 97.28 50.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 142.36 27.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.432 1.754 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 86' ' ' VAL . 75.3 t -99.55 75.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -93.96 87.55 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -146.63 101.92 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.04 -77.41 0.98 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 65.28 6.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.17 171.13 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.848 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -90.97 153.26 44.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 86.06 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.462 1.769 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.63 -1.93 6.03 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.848 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 9.1 mm-40 -90.71 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.577 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -67.14 163.07 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 99' ' ' PRO . 5.5 mtp180 -60.9 -177.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 7.8 mm-40 -132.03 63.0 67.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' CG ' ' CZ2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.02 169.26 23.0 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -133.95 -67.89 0.58 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.603 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -116.45 104.07 1.21 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.603 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.7 m 151.25 -54.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 106' ' ' GLY . 3.5 m-20 -73.79 -29.12 61.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.666 HD13 HD13 ' A' ' 129' ' ' ILE . 51.7 mt -52.47 -27.85 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -86.7 -24.44 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 87.07 26.75 30.37 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 18.5 m -65.62 -38.39 89.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.734 . . . . 0.0 110.446 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.7 m -117.02 -13.38 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 87.8 p -115.42 160.71 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.8 p -106.51 -178.44 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.872 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.0 tp -55.07 -52.61 62.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -47.35 17.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 51.4 mm-40 -62.92 -38.29 90.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.757 ' CG ' HG21 ' A' ' 126' ' ' VAL . 0.1 OUTLIER -66.15 -37.44 85.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.351 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.0 mm -65.44 -40.57 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.15 -57.15 18.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.577 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 4.4 m0 -54.09 -45.92 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.431 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 3.0 tpp -70.27 -18.27 63.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' THR . 92.7 m -110.75 20.89 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -108.7 171.89 7.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.4 m120 -115.76 116.84 40.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.5 Cg_endo -75.03 164.76 87.64 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.048 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.99 5.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.85 118.06 66.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.833 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.97 46.77 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.757 HG21 ' CG ' ' A' ' 114' ' ' GLN . 1.4 p -53.38 -30.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.67 -70.64 1.13 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -48.54 -37.12 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 0.715 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.833 HD12 ' C ' ' A' ' 125' ' ' PRO . 15.8 mt -60.99 -64.71 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -48.96 -37.69 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.456 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.83 -46.75 88.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -68.87 -35.16 76.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.8 m0 -64.6 -66.2 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.902 ' CD1' HD11 ' A' ' 56' ' ' LEU . 9.0 mt -43.97 -48.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.494 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -61.94 -36.5 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.544 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.58 -47.97 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.727 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.38 -50.31 63.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.7 mt -49.79 -47.32 51.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -59.7 -46.49 88.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -58.86 -36.09 74.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.793 HD13 ' HE2' ' A' ' 32' ' ' PHE . 21.9 mt -67.42 -48.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 37' ' ' ILE . 2.5 t -61.87 -30.83 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -62.84 -39.29 93.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.1 ttp -77.89 -44.27 27.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -53.08 -51.1 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.3 t 39.49 80.94 0.26 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 142.75 27.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 148' ' ' THR . 6.8 t -163.67 55.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.85 171.05 2.71 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.3 tt -94.37 141.21 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 3.6 mm -106.62 145.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.603 HG11 HE21 ' A' ' 13' ' ' GLN . 16.8 m -135.74 161.89 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.47 122.52 47.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -49.73 177.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.6 -43.71 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -59.9 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.28 78.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.39 1.056 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -162.02 156.97 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -104.82 123.88 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -144.68 154.78 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.847 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.4 p80 -87.91 166.8 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.603 HE21 HG11 ' A' ' 3' ' ' VAL . 1.5 tt0 -139.93 41.87 1.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 48.31 -174.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.647 HG21 HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -81.49 -176.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 147.59 62.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -65.42 -32.19 73.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -74.25 -51.09 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.2 mt -61.83 -40.49 95.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -60.46 -56.66 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.36 72.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.987 ' CH2' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -55.7 -64.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.953 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 20' ' ' LEU . 64.6 t -43.22 -41.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -63.4 -43.14 98.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG12 HG23 ' A' ' 36' ' ' VAL . 18.4 t -61.96 -51.34 73.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' ALA . 18.7 t -58.85 -39.56 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -64.98 -31.51 72.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.54 -25.12 25.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.3 mmmt -118.99 -78.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.37 93.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 49.7 93.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -153.39 173.62 4.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.92 0.01 9.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -108.4 -4.61 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.987 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -109.5 -28.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.699 ' O ' HD11 ' A' ' 135' ' ' ILE . 47.3 mt -60.18 -42.4 89.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.474 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.9 mtp -65.66 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 2.5 t80 -76.34 -44.4 36.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -39.83 81.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB3' ' HE3' ' A' ' 55' ' ' MET . 0.2 OUTLIER -57.41 -28.93 63.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 t -112.36 40.28 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -33.2 70.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.2 63.39 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.639 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -105.3 160.66 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.613 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -85.57 -171.24 0.28 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.497 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.613 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.0 Cg_endo -75.06 -34.78 3.51 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.79 -31.12 61.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.639 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 1.2 t70 -72.42 -58.99 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.025 HD22 HD13 ' A' ' 134' ' ' ILE . 3.8 mt -55.83 -43.83 77.35 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.17 -45.65 83.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -64.54 -52.08 59.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.33 -39.11 63.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.988 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HG12 ' A' ' 134' ' ' ILE . 6.0 mp -69.5 -38.92 77.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -26.58 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.681 HG23 HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.16 -42.67 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.397 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.58 167.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.16 -48.4 1.12 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.11 55.0 0.88 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.27 128.63 36.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.49 -35.94 78.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.57 -50.78 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.87 -53.55 55.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.2 mmt -58.28 -36.73 73.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.84 -51.49 69.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -40.59 91.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 138' ' ' LEU . 2.0 tt -63.15 -41.94 99.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -49.13 79.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.4 -40.93 98.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.782 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.17 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.378 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG12 ' CB ' ' A' ' 133' ' ' TRP . 0.1 OUTLIER -49.7 -39.57 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -60.89 -39.36 89.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.77 -61.17 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.688 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.18 -42.16 8.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.27 72.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.63 -49.01 71.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.96 -33.37 73.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.45 -43.54 98.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.34 -41.23 73.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -44.42 90.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 110.229 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.21 -48.09 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.417 ' CB ' ' HG3' ' A' ' 100' ' ' ARG . 8.6 m-70 -114.46 92.11 27.02 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.63 41.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.594 1.839 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HA ' ' A' ' 99' ' ' PRO . 7.6 p -146.14 147.39 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.401 1.063 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -170.33 52.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . . . -51.26 165.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.52 -84.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 69.37 5.62 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.41 159.98 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.854 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -70.81 154.53 94.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 86.18 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.78 -2.41 6.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.854 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 2.5 mm100 -84.29 161.19 20.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.762 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -106.42 147.15 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 1.8 ttm180 -66.18 173.21 3.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.76 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -134.42 62.17 53.75 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.143 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.871 ' HA ' HG11 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -74.94 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' PRO . 3.4 mmt180 -36.55 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -134.81 158.94 23.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.613 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 2.6 t 94.97 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -82.39 -36.81 26.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.817 ' HA ' HG23 ' A' ' 126' ' ' VAL . 45.9 mt -55.41 -27.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.6 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -90.99 -22.89 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.34 22.65 75.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.6 m -72.43 -33.94 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.348 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.7 m -105.7 -20.36 13.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.8 p -113.96 162.67 16.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -94.61 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.847 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.4 tp -54.86 -57.88 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.58 -46.92 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -42.89 90.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.744 ' HG3' HG21 ' A' ' 126' ' ' VAL . 5.6 tt0 -59.52 -36.11 75.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 119' ' ' THR . 5.2 mm -68.33 -38.15 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.72 -52.33 53.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.762 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.7 m-90 -58.34 -44.93 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -75.37 -10.81 59.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 115' ' ' ILE . 95.3 m -118.29 21.4 12.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.452 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.42 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 1.1 m-70 -113.18 170.47 8.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 4.0 t30 -113.54 119.36 41.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.017 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.94 4.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -77.62 118.31 71.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.793 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.0 47.39 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.408 1.741 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.817 HG23 ' HA ' ' A' ' 104' ' ' ILE . 1.5 p -52.77 -32.12 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.98 -72.16 0.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -46.89 -32.74 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.793 HD12 ' C ' ' A' ' 125' ' ' PRO . 25.5 mt -65.5 -63.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.6 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -51.38 -39.4 57.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -40.93 97.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -64.76 -40.49 95.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.701 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.1 m0 -66.4 -59.92 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 1.025 HD13 HD22 ' A' ' 52' ' ' LEU . 1.2 mt -43.63 -52.63 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 37' ' ' ILE . 1.2 tp -62.61 -30.9 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.688 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -57.19 -49.52 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.782 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -48.17 70.52 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 141' ' ' ILE . 12.7 mt -53.58 -39.2 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.621 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.5 t-20 -64.8 -47.81 76.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -62.17 -33.6 74.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 138' ' ' LEU . 18.5 mt -68.93 -48.82 68.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.3 t -64.32 -29.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -37.27 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.1 ttp -78.21 -39.6 40.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.72 -55.14 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.6 p 39.1 79.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.74 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 148' ' ' THR . 25.1 m -96.95 57.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.3 t -150.31 172.08 15.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 tt -94.35 149.0 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' VAL . 11.2 mt -117.8 138.09 49.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.8 165.56 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.37 120.01 39.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.419 HD22 HG21 ' A' ' 11' ' ' VAL . 10.5 p30 -84.17 139.72 32.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mp -41.95 -36.98 1.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -38.0 -37.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.373 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.71 47.03 0.87 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' CD ' HG21 ' A' ' 119' ' ' THR . 0.0 OUTLIER -165.41 148.78 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.97 125.88 35.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 2' ' ' ILE . 9.9 m -129.33 154.88 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.873 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.0 p80 -83.98 154.33 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.691 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 40.31 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 47.47 -173.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.711 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -89.9 -173.84 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -122.04 145.78 44.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.95 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -41.35 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -65.37 -30.79 71.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.95 -50.03 18.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.9 mt -62.53 -41.87 99.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.04 -61.66 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.82 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.638 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 46.3 t-105 -55.06 -60.0 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 20' ' ' LEU . 70.7 t -43.11 -41.86 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -69.55 -39.05 77.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TRP . 2.9 t -60.01 -45.47 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ALA . 13.5 t -72.43 -38.91 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -23.01 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -50.02 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mttt -92.83 -61.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 75.44 77.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 10.8 m-85 56.4 73.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -109.27 174.06 2.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.094 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.0 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -121.65 22.16 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.17 -21.45 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 142' ' ' VAL . 3.2 mt -61.58 -41.83 80.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.97 -36.01 2.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 43' ' ' LEU . 1.2 mmm -67.24 -38.86 85.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.638 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 1.9 t80 -73.16 -43.05 62.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.48 ' CB ' HG12 ' A' ' 135' ' ' ILE . 22.4 p -60.24 -40.49 90.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.21 -48.26 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -64.17 -21.17 66.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 52' ' ' LEU . 2.9 p -113.2 40.28 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.96 -53.24 43.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.53 54.98 0.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -86.2 162.52 18.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.61 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -83.93 -171.19 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.61 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.03 -38.08 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -76.21 -32.52 59.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -68.37 -56.09 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.354 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 134' ' ' ILE . 3.8 mt -58.46 -50.41 73.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -57.96 -37.75 74.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -59.3 -59.34 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.636 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 1.5 ptm -64.97 -17.88 64.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -76.03 -42.81 46.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.55 -31.64 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -57.91 -35.86 71.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.13 167.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -36.59 -67.23 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.31 55.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -98.48 111.7 23.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.55 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -31.36 67.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.98 -50.9 52.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.98 -54.45 45.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.93 74.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.81 -50.95 72.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.5 mtm -60.1 -44.46 94.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -33.55 73.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -50.24 64.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.7 -47.7 81.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.792 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.13 -59.71 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.435 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -47.15 -48.98 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -56.72 -34.74 67.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -64.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.987 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.6 mp0 -43.44 -40.11 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -66.4 -46.0 78.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.85 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.817 ' O ' HD12 ' A' ' 83' ' ' LEU . 3.6 pt-20 -60.6 -29.71 69.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.428 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 1.1 t-105 -65.14 -40.52 94.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 107.967 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.17 -49.04 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -58.01 -39.37 78.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.6 mt -68.22 -74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HB2' ' CD ' ' A' ' 100' ' ' ARG . 1.5 m-70 -92.46 122.8 63.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.597 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 86' ' ' VAL . 18.1 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 85' ' ' PRO . 42.9 t -155.91 127.43 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -123.02 85.74 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.35 108.71 16.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -148.26 -88.32 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.29 2.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -139.26 166.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.837 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -81.65 154.24 70.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 86.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.23 -2.36 6.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.837 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 3.5 mm100 -85.99 143.39 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 0.73 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.718 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 1.4 ptt? -76.82 153.12 35.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -68.1 -178.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 6.5 tt0 -133.6 62.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -74.97 -179.04 4.59 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' A' ' 104' ' ' ILE . 28.2 mmt180 -123.01 -73.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -112.03 111.27 2.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.437 1.086 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.4 m 153.1 -55.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.604 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 25.4 m-20 -74.21 -32.4 63.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 126' ' ' VAL . 71.1 mt -54.74 -19.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -85.2 -23.29 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 79.42 17.07 76.83 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.1 m -74.61 -37.68 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.1 p -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.44 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -114.83 161.39 18.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.1 p -99.4 178.53 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.873 HD21 ' NE2' ' A' ' 12' ' ' HIS . 15.1 tp -55.74 -54.9 38.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.55 -45.17 26.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 28.5 mt-10 -59.5 -43.87 93.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.424 ' CD ' HG22 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -57.74 -50.93 71.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.5 mp -59.71 -32.35 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.54 33.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.718 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 2.0 m-90 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.475 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 1.9 ttp -82.6 -12.22 57.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.53 HG21 ' CD ' ' A' ' 9' ' ' GLN . 86.8 m -117.78 21.26 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.544 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 2.6 m-70 -112.84 167.55 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.499 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.2 m-20 -112.7 120.29 41.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.98 165.69 85.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.087 -2.464 . . . . 0.0 111.031 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.92 4.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.8 mp -79.81 123.42 83.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.806 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.6 Cg_endo -74.93 45.75 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.429 1.752 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.594 HG23 HG23 ' A' ' 104' ' ' ILE . 1.4 p -53.23 -32.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.178 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.31 -70.61 1.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -48.84 -34.36 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.2 mt -63.16 -61.54 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -53.01 -42.43 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.458 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -55.78 -47.01 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -68.2 -34.82 76.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.26 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 37.1 m0 -63.19 -67.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.053 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 52' ' ' LEU . 72.7 mt -43.25 -51.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.2 mp -57.38 -37.62 58.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.987 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.86 -48.29 75.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.792 ' N ' HG21 ' A' ' 72' ' ' THR . . . -61.08 -49.13 81.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 40' ' ' PHE . 15.1 mt -52.29 -44.39 64.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.93 -47.82 83.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 1.18 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -62.37 -34.41 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 138' ' ' LEU . 86.9 mt -65.92 -49.27 78.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.682 HG21 HD12 ' A' ' 37' ' ' ILE . 2.3 t -60.11 -33.12 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -37.43 85.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.6 ttp -78.79 -46.02 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 146' ' ' SER . 1.1 m-85 -51.99 -50.53 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 145' ' ' TYR . 77.7 p 38.97 78.7 0.35 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.3 m -152.35 -58.5 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 93.1 p -146.33 122.49 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.058 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 151' ' ' LEU . 12.5 tt -140.77 -52.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 150' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.696 HD12 ' CE ' ' A' ' 118' ' ' MET . 12.2 mt -95.85 145.32 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.597 1.186 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 11' ' ' VAL . 32.7 m -130.46 159.23 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -104.9 137.47 42.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -71.6 -168.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -32.0 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -173.37 32.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 28.05 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -158.99 159.05 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.51 134.49 34.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 3' ' ' VAL . 30.2 m -152.62 153.8 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.621 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.3 p80 -103.47 161.32 13.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.504 ' NE2' HG21 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -114.36 39.29 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.06 -173.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.703 HG21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -84.96 -176.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.61 146.49 54.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.67 3.04 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -33.19 72.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -48.96 25.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.703 HD11 HG21 ' A' ' 15' ' ' ILE . 25.9 mt -66.1 -41.28 90.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.08 -59.81 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.17 -44.15 64.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CZ2' ' CG2' ' A' ' 27' ' ' VAL . 37.2 t-105 -54.53 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 58' ' ' THR . 17.4 t -44.2 -42.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.14 79.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' CE ' ' A' ' 39' ' ' MET . 24.6 t -60.91 -52.76 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' CG2' ' CZ2' ' A' ' 23' ' ' TRP . 21.9 t -65.2 -40.18 87.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.81 -30.76 69.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.22 -48.79 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.7 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 4.7 mttt -95.04 -71.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.66 81.26 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.57 1.169 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 55.98 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -107.07 174.04 2.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.2 Cg_endo -75.05 -1.28 11.03 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.417 1.746 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.86 19.24 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.61 -14.4 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.665 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 12.0 mm -68.91 -42.56 23.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.03 -34.31 3.89 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.552 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -67.13 -37.96 84.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.489 ' CZ ' ' HE2' ' A' ' 55' ' ' MET . 4.4 t80 -73.99 -44.7 53.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.467 ' CB ' HG12 ' A' ' 135' ' ' ILE . 2.1 p -59.57 -39.11 83.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.49 -33.53 58.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.55 -44.75 81.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.8 t -75.33 -76.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.5 tt0 81.87 -15.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.28 38.06 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.0 159.25 33.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.585 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -78.14 -172.6 0.33 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 17.9 Cg_endo -75.09 -36.26 2.6 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -37.35 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 15' ' ' ILE . 69.9 m-20 -70.11 -59.45 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 134' ' ' ILE . 4.4 mt -57.03 -37.96 72.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 11.2 t30 -60.35 -44.65 95.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.627 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -64.42 -36.16 83.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.372 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 1.2 ttp -69.72 -39.33 76.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.598 1.186 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 134' ' ' ILE . 84.7 mt -66.78 -45.24 79.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -66.53 -32.69 74.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.55 -41.77 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -43.17 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -41.96 -53.44 4.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.14 54.99 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.779 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 11.9 m170 -84.94 123.01 30.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.16 -47.34 68.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.74 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.779 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.99 -52.51 65.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.7 mmt -58.13 -33.64 69.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -51.81 65.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 141' ' ' ILE . 0.7 OUTLIER -63.17 -37.81 88.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.84 -45.59 85.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.72 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.845 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.11 -61.11 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -47.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -58.96 -34.14 71.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.42 -60.9 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 133' ' ' TRP . 0.0 OUTLIER -47.12 -44.06 21.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.35 -48.11 82.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.04 -48.89 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -37.48 78.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -57.62 -48.13 80.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.019 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -58.37 -48.29 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -34.41 71.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.94 -51.54 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -115.09 90.68 24.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 108.37 2.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 98' ' ' GLU . 18.4 m -126.02 106.61 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.22 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 86.91 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.581 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.56 168.42 22.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -107.78 -137.4 8.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' ILE . 18.1 Cg_endo -75.1 90.59 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 97' ' ' ARG . 97.0 mt -40.02 148.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.857 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -76.09 154.43 84.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.33 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.575 1.829 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.67 -2.48 6.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.857 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 10.9 mm-40 -90.52 -54.76 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 110.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.697 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER 66.18 147.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -160.41 179.75 8.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' O ' HG11 ' A' ' 86' ' ' VAL . 5.3 mt-10 -81.81 116.35 62.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.4 Cg_endo -74.97 166.47 29.15 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -115.6 32.78 5.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.803 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 86.86 -52.91 4.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -47.0 -29.87 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.931 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 1.6 m-20 -71.4 -39.02 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.058 HG23 HG23 ' A' ' 126' ' ' VAL . 42.6 mt -57.53 -26.22 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -78.75 -23.78 45.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.89 23.65 44.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.6 m -66.86 -39.38 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 m -115.01 -19.39 10.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 1.3 p -115.76 161.03 19.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 114' ' ' GLN . 81.8 p -106.34 -175.89 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.441 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.621 HD21 ' NE2' ' A' ' 12' ' ' HIS . 5.1 tp -53.7 -56.64 15.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -44.49 -45.35 9.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 0.0 OUTLIER -60.7 -43.2 98.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.643 ' HG2' HG21 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -62.74 -45.6 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.581 ' N ' HD13 ' A' ' 115' ' ' ILE . 3.4 mm -57.86 -38.26 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -63.16 -53.87 36.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.697 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.1 m0 -54.36 -34.42 61.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.696 ' CE ' HD12 ' A' ' 2' ' ' ILE . 2.7 tpp -84.38 -20.08 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 119' ' ' THR . 86.3 m -106.21 19.97 19.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 165.53 12.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 76.4 m-20 -111.18 121.77 39.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.4 Cg_endo -74.93 163.76 89.94 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.074 -0.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.524 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.3 mp -82.86 123.37 78.03 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.901 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.07 49.81 2.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.538 1.81 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.058 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -51.78 -34.56 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.27 -70.21 1.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -47.26 -34.08 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.901 HD12 ' C ' ' A' ' 125' ' ' PRO . 8.8 mt -63.58 -58.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 2.0 t80 -57.2 -38.54 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -46.38 85.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.04 -34.77 77.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.519 ' CE2' ' HB3' ' A' ' 76' ' ' GLU . 36.8 m0 -61.84 -64.59 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 108.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.719 HD12 HD13 ' A' ' 52' ' ' LEU . 34.1 mt -46.51 -49.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -59.43 -30.5 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.484 ' C ' HG21 ' A' ' 72' ' ' THR . 0.2 OUTLIER -63.53 -49.0 75.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.845 ' N ' HG21 ' A' ' 72' ' ' THR . . . -66.17 -50.8 49.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.7 mt -49.9 -48.83 51.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.807 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.474 ' N ' HD12 ' A' ' 37' ' ' ILE . 11.0 t-20 -59.05 -46.86 87.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.3 -35.75 70.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 69' ' ' LEU . 79.8 mt -70.15 -48.28 62.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -55.77 -31.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -49.68 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.6 ttp -79.74 -20.4 46.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.53 34.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -120.66 77.88 29.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -169.92 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 149' ' ' SER . 13.0 t -116.12 154.51 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 148' ' ' THR . 0.3 OUTLIER -39.44 130.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.969 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 28.5 mm -103.23 151.34 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.475 HG13 ' CB ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -109.39 161.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 2' ' ' ILE . 3.7 m -148.59 165.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -124.5 111.81 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.261 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLN . 16.0 m-80 -41.48 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -56.83 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.377 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.33 -62.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.5 67.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -146.94 123.16 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.36 130.35 35.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -149.93 154.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.822 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.8 p80 -104.44 169.09 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.4 123.18 35.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.59 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -56.67 -172.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.77 148.01 67.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.88 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -66.37 -31.69 72.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -47.09 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.7 mt -64.88 -40.46 95.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.09 -60.7 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.28 -44.8 68.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.652 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 59.8 t-105 -54.27 -62.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 20' ' ' LEU . 89.2 t -44.89 -39.95 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -39.37 85.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 23' ' ' TRP . 4.8 t -61.85 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.9 t -66.53 -40.38 86.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -43.44 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.712 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 mmtt -103.9 -70.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 85.71 80.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 59' ' ' VAL . 12.9 m-85 55.97 82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -128.38 174.98 3.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.02 -0.8 10.42 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.95 10.37 16.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.96 -25.56 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 2.5 mt -61.29 -42.14 83.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.92 -38.1 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 26' ' ' VAL . 1.6 mmm -66.77 -34.57 78.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.652 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.9 t80 -75.09 -43.69 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.485 ' CB ' HG12 ' A' ' 135' ' ' ILE . 3.0 p -61.2 -39.12 89.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.55 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -28.37 69.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 4.0 t -110.26 40.1 2.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.461 1.1 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -47.67 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.76 60.45 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.17 156.85 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.602 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -82.01 -171.91 0.32 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.02 -33.02 4.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -76.37 -35.06 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 11.2 t70 -68.85 -57.05 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.948 HD13 HD12 ' A' ' 134' ' ' ILE . 6.1 mt -58.11 -44.41 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -56.67 -42.25 78.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 15' ' ' ILE . 2.9 m -59.81 -60.28 4.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -48.86 -36.87 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.38 1.05 . . . . 0.0 110.942 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 5.8 mp -68.84 -45.7 70.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.678 HG23 HG22 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -77.21 -31.85 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.03 165.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . . . -36.04 -45.41 0.85 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 95.7 55.14 1.35 Allowed Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.71 124.05 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.591 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.97 -38.34 85.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.23 -48.76 66.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.14 -54.04 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.8 mmt -60.33 -31.95 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -55.04 38.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.518 ' HE3' HG12 ' A' ' 141' ' ' ILE . 70.7 mtm -59.88 -42.23 93.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 141' ' ' ILE . 2.8 tt -62.47 -34.32 76.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -65.96 -49.84 66.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.822 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.44 -60.3 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -46.75 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -55.21 -38.23 68.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.12 -54.89 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.725 ' CD ' HD13 ' A' ' 136' ' ' LEU . 1.5 mp0 -48.26 -47.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.53 79.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.03 67.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 83' ' ' LEU . 10.7 mt-10 -61.14 -30.79 70.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.06 -43.38 92.41 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -71.17 -48.82 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -47.99 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.7 mt -68.62 -71.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -98.55 109.16 51.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 162.71 36.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.806 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -176.23 138.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.33 146.26 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.29 143.6 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.06 -90.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.71 5.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.557 1.82 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 97' ' ' ARG . 14.9 mm -114.13 107.69 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -66.12 147.11 98.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 18.3 Cg_endo -74.95 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.426 1.751 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 134.51 -5.74 4.52 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' HG2' ' N ' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -89.8 159.12 17.18 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 0.725 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.762 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -94.65 121.59 36.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.739 ' HB3' HD12 ' A' ' 91' ' ' ILE . 5.2 ptt-85 -111.09 179.25 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.991 ' O ' HG21 ' A' ' 86' ' ' VAL . 9.2 mt-10 -119.0 79.68 17.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HG2' ' CB ' ' A' ' 103' ' ' ASP . 18.6 Cg_endo -74.98 167.85 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 6.2 mtm105 -75.38 -168.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 110.273 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . -58.05 -26.43 58.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -51.34 -29.61 15.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.581 0.812 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 117' ' ' TRP . 1.8 t0 -73.58 -43.51 59.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.813 HD13 HG21 ' A' ' 129' ' ' ILE . 38.3 mt -59.56 -22.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.19 50.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.01 64.21 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 m -76.4 -37.64 56.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.386 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -106.39 -25.42 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 p -113.29 162.49 15.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.5 p -101.81 -177.16 3.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.822 HD21 ' NE2' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -59.72 -47.97 83.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.3 -46.1 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.23 -47.75 84.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.696 ' HG2' HG21 ' A' ' 126' ' ' VAL . 41.9 mt-30 -58.36 -37.66 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -64.04 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.69 -52.79 46.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.762 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.7 m0 -55.71 -37.24 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 5.5 ttm -78.55 -16.16 57.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 119' ' ' THR . 12.4 m -113.27 20.85 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.35 168.46 9.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.0 m120 -111.32 120.68 42.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -75.03 164.83 87.48 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.038 -0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.48 4.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 117' ' ' TRP . 2.0 mp -82.78 119.74 75.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.823 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.96 48.44 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 104' ' ' ILE . 1.7 p -53.23 -32.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.45 -69.97 1.28 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -49.72 -32.0 12.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 0.734 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 125' ' ' PRO . 24.4 mt -65.67 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.53 -39.82 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 44' ' ' SER . 3.0 ttpp -60.15 -43.82 95.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 0.3 OUTLIER -67.8 -37.37 81.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.57 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 44.3 m0 -63.99 -64.5 0.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.585 1.178 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.948 HD12 HD13 ' A' ' 52' ' ' LEU . 46.8 mt -44.08 -49.39 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.485 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.4 mp -62.23 -34.37 63.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' CD ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -55.97 -48.36 75.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.822 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.01 -49.64 61.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.1 mt -46.41 -46.92 18.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.416 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 1.7 t30 -63.27 -46.72 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.518 HG12 ' HE3' ' A' ' 68' ' ' MET . 25.8 mt -70.63 -48.98 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 37' ' ' ILE . 2.1 t -58.64 -32.38 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 143' ' ' ARG . 2.0 mtp-105 -62.59 -45.04 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -79.12 -17.22 55.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 146' ' ' SER . 0.1 OUTLIER -84.17 -44.91 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.489 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.3 OUTLIER -38.3 -55.38 2.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.5 Cg_endo -74.97 128.89 11.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 49.3 m 67.52 -69.02 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 147' ' ' PRO . 7.6 t 68.96 134.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.4 tp -112.53 144.9 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.566 HG23 ' C ' ' A' ' 11' ' ' VAL . 25.3 mt -101.55 141.96 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.85 166.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -86.36 138.47 31.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' ND2' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -143.63 -179.05 6.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.764 HD23 ' NE2' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 77.97 -56.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.764 ' NE2' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 167.22 -29.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.73 32.22 0.15 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -121.92 122.9 40.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.0 tpp -79.08 131.61 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' C ' HG23 ' A' ' 2' ' ' ILE . 13.2 m -147.21 156.16 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.904 ' NE2' HD21 ' A' ' 111' ' ' LEU . 25.8 p80 -78.46 154.69 30.36 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.598 1.187 . . . . 0.0 109.577 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' PRO . 4.9 tt0 -116.03 118.08 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.579 1.174 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.39 164.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.383 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -70.07 -175.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -126.95 147.14 60.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -36.81 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -68.15 -32.15 72.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.431 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.37 -49.7 18.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD11 HG21 ' A' ' 15' ' ' ILE . 24.5 mt -64.42 -40.08 95.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -61.37 -58.98 6.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -53.0 -45.37 67.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.969 ' CH2' HG22 ' A' ' 36' ' ' VAL . 68.5 t-105 -54.71 -61.64 2.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -42.65 -42.68 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -65.55 -42.8 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 22' ' ' ALA . 77.5 t -60.47 -61.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 31' ' ' ALA . 28.0 t -54.05 -39.09 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.67 -39.71 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.72 -49.98 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.4 mptt -91.35 -76.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.63 86.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 25.3 m-85 56.04 66.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -117.36 174.35 2.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -75.03 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -113.15 4.7 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.969 HG22 ' CH2' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -108.5 -21.18 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.677 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 6.1 mm -65.14 -42.23 58.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.05 -33.03 4.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.0 mmm -69.57 -36.43 76.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 3.5 t80 -74.65 -46.75 36.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 135' ' ' ILE . 8.4 p -62.6 -35.67 80.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.49 58.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 39' ' ' MET . 0.2 OUTLIER -58.26 -44.64 88.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 14.5 t -75.58 -78.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.3 OUTLIER 83.15 -22.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.32 37.5 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -71.83 157.45 37.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.586 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -80.24 -172.61 0.35 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.01 -28.87 8.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.61 -41.74 44.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' CG ' HD12 ' A' ' 15' ' ' ILE . 12.3 t70 -66.03 -55.21 17.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD13 HD12 ' A' ' 134' ' ' ILE . 3.1 mt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t-20 -55.2 -43.44 74.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.43 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.45 -48.74 78.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.548 ' HG3' HD21 ' A' ' 20' ' ' LEU . 1.9 mtp -63.7 -27.01 68.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 134' ' ' ILE . 1.5 mp -73.07 -44.69 60.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.97 -31.03 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.543 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.94 -36.58 77.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -44.24 166.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.4 -56.05 7.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.91 55.4 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.86 113.2 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 109.599 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -32.16 66.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.27 61.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.96 -54.27 48.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.4 mmt -58.27 -36.14 72.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -58.97 -54.5 46.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 65' ' ' ALA . 3.0 mpp? -59.38 -39.65 84.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 141' ' ' ILE . 6.4 tt -64.94 -34.11 77.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -49.84 67.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.22 -46.78 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.592 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.8 OUTLIER -59.13 -58.2 9.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.857 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.8 mm -43.76 -50.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.08 -37.27 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' THR . 1.8 tp10 -64.29 -58.67 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.917 ' CG ' HD13 ' A' ' 136' ' ' LEU . 1.5 mm-40 -45.54 -45.27 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.33 74.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.08 68.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.91 72.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.2 t-105 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -38.84 78.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -44.69 96.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.23 -81.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 100' ' ' ARG . 5.7 m-70 -70.22 113.4 17.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.576 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 107.46 2.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG21 ' H ' ' A' ' 100' ' ' ARG . 88.7 t -95.25 113.25 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -105.37 73.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.32 163.1 18.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.24 -63.55 0.62 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 58.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 tt -142.71 155.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 95' ' ' GLN . . . -76.69 153.94 83.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.31 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.93 -4.31 5.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 92' ' ' ALA . 23.6 mm-40 -76.72 136.43 39.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.595 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 3.1 ttt -53.91 118.59 4.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -100.86 169.46 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -130.25 67.57 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.2 Cg_endo -74.96 79.61 2.61 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.39 1.732 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.536 ' H ' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -44.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 95.72 95.02 1.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 156.13 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.051 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' OD2' ' CH2' ' A' ' 117' ' ' TRP . 90.2 m-20 -77.3 -33.25 55.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.585 ' HA ' HG23 ' A' ' 126' ' ' VAL . 61.9 mt -56.98 -25.84 23.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.59 61.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 109' ' ' SER . . . 78.47 8.25 87.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.9 m -67.7 -38.01 83.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 110.442 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.4 m -106.81 -20.74 13.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 60.2 p -113.6 162.95 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 p -112.49 -172.65 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.45 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.904 HD21 ' NE2' ' A' ' 12' ' ' HIS . 20.4 tp -56.3 -63.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -40.15 -44.62 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 3.0 mm-40 -58.66 -44.93 90.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -65.51 -27.77 68.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.384 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 111' ' ' LEU . 23.8 mm -67.35 -47.04 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.2 -52.16 51.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.698 ' CD1' HD13 ' A' ' 124' ' ' ILE . 1.5 m0 -53.14 -45.66 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.0 tpp -61.92 -31.76 72.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 119' ' ' THR . 94.3 m -107.41 22.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' PRO . 6.3 t60 -89.4 172.01 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.6 m120 -125.12 106.45 28.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -74.98 161.05 95.62 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.028 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.2 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -79.26 124.11 84.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.798 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.03 48.37 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG23 ' HA ' ' A' ' 104' ' ' ILE . 2.4 p -51.86 -32.57 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.83 -72.09 0.94 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.505 1.128 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -37.41 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -61.11 -61.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' PRO . 1.7 t80 -50.76 -38.38 47.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 135' ' ' ILE . 1.3 tttt -60.73 -44.41 96.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -67.2 -36.65 82.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.857 ' HB3' HD13 ' A' ' 73' ' ' ILE . 40.1 m0 -64.0 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.57 HD12 HD13 ' A' ' 52' ' ' LEU . 24.8 mt -45.01 -49.42 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.515 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.5 mp -60.65 -34.84 60.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.917 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.48 -47.64 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.592 ' N ' HG21 ' A' ' 72' ' ' THR . . . -67.92 -49.55 47.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.693 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.8 mt -49.14 -47.93 45.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.79 -46.6 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -56.9 -35.46 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 138' ' ' LEU . 11.4 mt -70.54 -50.85 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.2 t -57.29 -25.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -72.43 -44.75 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -78.37 -19.38 53.51 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 144' ' ' MET . 2.9 t80 -80.46 -51.96 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t 39.41 79.72 0.31 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.26 27.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 148' ' ' THR . 9.7 t -172.7 58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 68.1 p 179.0 167.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.18 174.8 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mt -113.98 150.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.453 HG21 HE21 ' A' ' 13' ' ' GLN . 16.5 m -127.57 162.18 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -106.65 119.01 38.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.401 1.063 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' GLN . 13.6 m-80 -49.87 178.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.49 -55.8 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -50.94 -62.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.92 67.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.83 157.75 44.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.48 120.64 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.81 154.47 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.695 ' CE1' HD21 ' A' ' 111' ' ' LEU . 6.5 p80 -91.44 156.64 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.661 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.453 HE21 HG21 ' A' ' 3' ' ' VAL . 5.2 tt0 -134.73 44.43 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.57 -174.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -89.06 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.15 145.79 47.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -67.58 -33.73 75.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -51.31 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.347 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 15' ' ' ILE . 20.3 mt -63.11 -41.6 99.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -57.49 -58.18 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.92 -44.37 66.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.532 ' CE2' HG21 ' A' ' 27' ' ' VAL . 36.6 t-105 -54.64 -61.03 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -43.79 -42.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -38.95 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 22' ' ' ALA . 42.4 t -61.11 -55.13 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 23' ' ' TRP . 9.4 t -61.58 -40.2 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.9 -33.81 70.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.44 -52.13 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.728 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -92.32 -71.29 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.783 ' HE1' HG21 ' A' ' 59' ' ' VAL . 5.5 m-85 58.08 84.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.62 173.55 5.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.686 ' HA ' HG11 ' A' ' 142' ' ' VAL . 18.2 Cg_endo -75.04 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.73 8.63 20.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -111.12 -15.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.864 HD11 ' CG2' ' A' ' 142' ' ' VAL . 3.6 mm -66.5 -42.2 45.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.92 -39.46 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.395 1.734 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -62.31 -36.21 81.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.721 ' HZ ' HD12 ' A' ' 56' ' ' LEU . 5.7 t80 -75.86 -44.71 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -58.76 -34.29 71.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.32 27.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' HB3' ' HE1' ' A' ' 55' ' ' MET . 0.2 OUTLIER -62.72 -20.9 65.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -113.82 42.03 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.41 -48.13 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.346 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.74 51.5 0.44 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.75 161.57 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.582 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.2 p -81.86 -172.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.451 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.94 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -73.67 -30.03 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.696 ' CG ' HD12 ' A' ' 15' ' ' ILE . 11.3 t70 -71.87 -58.12 3.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.751 HD22 HD13 ' A' ' 134' ' ' ILE . 1.0 OUTLIER -55.12 -50.12 70.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.187 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.39 -39.98 81.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -47.86 84.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -62.45 -33.19 74.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.721 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 7.8 mp -73.81 -40.2 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.15 -22.0 61.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.505 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -61.67 -40.18 94.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.783 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -46.73 171.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -55.22 -80.7 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.73 54.98 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 4.6 m-70 -80.47 102.87 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.615 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -67.96 -35.6 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.16 54.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.15 -54.66 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.11 -36.78 73.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -60.2 -51.72 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.05 -39.71 86.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.59 -35.11 79.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -48.89 69.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.68 -46.11 91.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.856 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 HG13 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -48.66 -45.66 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -57.29 -37.06 71.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.42 -59.09 5.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.428 1.08 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -46.89 -43.79 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB1' ' CA ' ' A' ' 101' ' ' GLY . . . -58.98 -50.38 74.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.078 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.24 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.575 1.172 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.813 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.12 -28.72 69.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.213 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -67.24 -41.99 84.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 85' ' ' PRO . 6.9 t70 -71.4 -49.46 41.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.417 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -57.23 -45.2 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 79' ' ' GLU . 5.4 mt -69.58 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -116.12 87.7 20.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.613 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.411 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 18.2 Cg_endo -75.0 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 86' ' ' VAL . 12.4 p -78.92 69.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -125.49 89.9 3.12 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' HIS . . . 178.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.26 11.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.057 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.02 2.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.78 143.18 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.226 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.875 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -119.21 155.12 53.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 85.81 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.46 1.768 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.69 -1.88 5.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.875 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 13.8 mm-40 -93.36 156.14 16.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 120' ' ' HIS . 18.7 ttt -70.72 105.97 3.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 27.2 mtp180 -69.08 170.04 10.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 86' ' ' VAL . 60.2 mt-10 -136.08 61.19 38.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.02 143.31 28.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.43 131.11 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.674 ' CA ' ' HB1' ' A' ' 77' ' ' ALA . . . 110.28 -104.75 1.86 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -49.39 -35.62 19.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 109' ' ' SER . 25.8 t0 -58.1 -52.91 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.718 HD13 HG21 ' A' ' 129' ' ' ILE . 29.8 mt -66.51 -11.53 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -85.55 -23.31 27.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 22.8 28.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.9 m -77.64 -38.49 47.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 42.3 m -116.75 -11.72 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.458 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.8 p -111.58 132.78 54.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 56.8 p -94.04 -162.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.695 HD21 ' CE1' ' A' ' 12' ' ' HIS . 46.6 tp -68.56 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -51.73 -45.47 63.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.6 -43.57 84.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.753 ' NE2' HG21 ' A' ' 126' ' ' VAL . 1.1 tp60 -58.65 -42.64 88.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.52 -41.28 84.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -62.72 -55.33 27.65 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.137 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 109' ' ' SER . 0.1 OUTLIER -52.98 -43.57 66.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.583 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.43 -37.92 88.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' THR . 30.6 m -98.42 21.8 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 1.4 t-80 -89.46 169.5 11.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 8.3 m120 -120.5 108.07 38.05 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.92 165.4 85.97 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.02 -0.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.6 Cg_endo -74.96 118.2 5.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.538 HD13 ' HD1' ' A' ' 117' ' ' TRP . 4.7 mp -74.29 121.46 85.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.747 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.4 Cg_endo -74.96 44.89 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.753 HG21 ' NE2' ' A' ' 114' ' ' GLN . 4.3 p -49.76 -35.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.38 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.74 -38.71 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.6 mt -62.65 -63.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 126' ' ' VAL . 0.7 OUTLIER -49.24 -36.14 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.0 ttpt -63.09 -45.0 94.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -35.72 78.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.1 m0 -66.4 -67.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 108.037 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.751 HD13 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -43.7 -44.43 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 135' ' ' ILE . 2.2 mm -64.34 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.1 OUTLIER -52.71 -47.54 67.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.856 ' N ' HG21 ' A' ' 72' ' ' THR . . . -63.41 -51.61 53.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 141' ' ' ILE . 16.4 mt -54.97 -35.51 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 0.728 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.76 -47.14 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -35.28 80.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 138' ' ' LEU . 16.0 mt -66.55 -50.27 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.864 ' CG2' HD11 ' A' ' 37' ' ' ILE . 49.6 t -63.53 -33.48 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -48.61 79.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -63.93 -44.04 94.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.86 -50.8 63.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 t 39.09 66.85 2.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 171.71 17.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 148' ' ' THR . 9.4 t -168.33 57.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 t -174.68 171.1 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.48 173.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.415 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -110.43 158.25 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.415 HG13 ' C ' ' A' ' 2' ' ' ILE . 5.0 m -152.35 166.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.12 110.63 20.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -74.08 138.42 43.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -43.06 -40.21 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.7 mp0 -37.59 -38.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.16 52.18 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -165.02 143.77 6.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.3 ttm -90.47 117.46 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -122.5 155.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.901 ' NE2' HD21 ' A' ' 111' ' ' LEU . 17.3 p80 -98.59 154.39 17.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.78 41.29 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.74 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 1.4 tt -79.79 -176.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.65 146.61 57.57 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -37.85 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -31.75 71.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -48.8 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.719 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 mt -64.47 -40.89 96.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -60.95 -53.62 55.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.5 86.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 40' ' ' PHE . 53.3 t-105 -56.27 -64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.751 HG22 HG23 ' A' ' 58' ' ' THR . 91.5 t -43.44 -41.1 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -65.36 -41.42 93.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' HE1' ' A' ' 39' ' ' MET . 2.6 t -62.23 -43.65 98.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ALA . 40.2 t -67.53 -39.44 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.26 -33.47 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.17 -35.72 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.74 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 mttt -101.9 -77.11 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.15 75.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 65' ' ' ALA . 2.9 m-85 57.59 58.26 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -104.15 172.7 3.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -0.98 10.61 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.529 1.805 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -114.21 11.22 17.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -110.37 -22.43 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.806 HD11 ' HB ' ' A' ' 142' ' ' VAL . 4.2 mt -63.3 -40.88 64.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.94 -37.96 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.744 ' HE1' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.03 -34.99 79.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.1 t80 -75.33 -43.66 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.32 -40.94 87.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.31 -42.65 65.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -32.52 68.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.543 ' CB ' HD21 ' A' ' 52' ' ' LEU . 26.2 t -105.26 37.26 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -45.18 23.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.01 55.97 0.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.767 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -91.77 166.41 12.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -89.79 -171.89 0.31 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.92 -34.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.84 -33.01 60.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.767 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -69.88 -58.76 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.997 HD13 HD12 ' A' ' 134' ' ' ILE . 5.2 mt -56.89 -44.71 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -56.76 -43.33 80.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.642 ' CG2' HD13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -61.73 -44.76 96.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.412 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.725 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -63.57 -30.14 71.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' A' ' 40' ' ' PHE . 3.7 mp -75.7 -45.96 33.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.406 1.066 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -71.26 -17.51 62.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -73.55 -30.33 63.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.416 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.584 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -43.28 166.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -47.15 -79.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.66 55.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -96.55 103.4 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.617 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.12 -35.41 69.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.226 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.38 -50.03 55.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -55.4 -54.68 40.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.6 mmt -60.51 -33.1 72.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.01 -55.63 32.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtm -64.64 -32.12 73.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.99 -44.54 94.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -67.79 -48.12 67.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.71 -47.65 67.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.815 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.18 -59.42 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.355 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 133' ' ' TRP . 2.3 mm -44.44 -53.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -56.24 -34.4 66.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -62.42 -58.15 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.667 ' CG ' HD13 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -48.68 -44.7 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.74 -48.19 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.37 66.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.38 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 83' ' ' LEU . 5.4 mm-40 -60.74 -32.23 71.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -42.3 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 107.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.98 -44.86 60.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -56.57 -47.18 80.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 79' ' ' GLU . 4.0 mt -70.5 -80.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -117.61 89.04 31.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.546 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -166.34 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.767 HG11 ' HA ' ' A' ' 99' ' ' PRO . 4.1 p -165.18 158.47 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 4.0 p80 -160.42 110.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.88 172.3 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.59 -142.46 13.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 131.99 14.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.521 HD13 ' HG3' ' A' ' 97' ' ' ARG . 1.3 tt -110.4 136.64 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.849 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -43.65 153.46 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.78 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.56 -1.61 6.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 4.2 mm-40 -80.47 170.0 16.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.232 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.702 ' HE1' ' CD1' ' A' ' 117' ' ' TRP . 6.9 ttt -107.28 134.13 50.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.521 ' HG3' HD13 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -112.83 179.75 3.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.23 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.76 ' O ' HG21 ' A' ' 86' ' ' VAL . 2.0 mt-10 -134.18 67.55 73.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HA ' HG11 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -75.04 -174.68 2.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -76.19 -156.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -53.56 -34.71 50.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 1.7 m -39.5 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' OD1' ' CE3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -64.91 -51.94 59.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.845 HD13 HG21 ' A' ' 129' ' ' ILE . 3.0 mt -73.79 -22.5 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' SER . . . -73.04 -23.1 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.32 20.77 78.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -87.73 -34.42 18.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 0.745 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.4 m -108.55 -23.36 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 79.8 p -115.02 161.17 18.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.6 p -104.4 -177.87 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.901 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.7 tp -56.21 -55.13 36.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -47.15 -45.1 22.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 46.6 mt-10 -59.07 -46.4 88.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.837 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.8 OUTLIER -58.0 -46.26 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.2 mp -59.77 -35.64 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.99 14.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.702 ' CD1' ' HE1' ' A' ' 96' ' ' MET . 2.3 m-90 -55.07 -32.39 61.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.444 ' HB2' ' CG1' ' A' ' 126' ' ' VAL . 2.3 tpp -83.01 -19.28 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 119' ' ' THR . 48.5 m -109.5 20.45 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.588 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -114.42 164.11 14.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -110.41 121.81 40.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.25 88.83 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 0.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 117.9 5.07 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 2.4 mp -82.72 123.85 77.88 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.872 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -74.93 49.17 2.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.837 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.7 p -51.55 -35.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.75 -66.34 2.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.37 -37.47 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 0.725 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.872 HD12 ' C ' ' A' ' 125' ' ' PRO . 7.8 mt -63.98 -62.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 104' ' ' ILE . 2.9 t80 -48.91 -44.11 39.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -61.0 -39.74 90.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.562 ' HD3' HD12 ' A' ' 136' ' ' LEU . 2.8 tmt_? -63.42 -42.44 98.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.569 ' CH2' ' HB ' ' A' ' 104' ' ' ILE . 45.8 m0 -63.25 -59.36 4.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.997 HD12 HD13 ' A' ' 52' ' ' LEU . 29.7 mt -45.48 -51.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -63.24 -28.82 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.667 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.3 -46.93 87.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.815 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.02 -47.87 57.24 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 13.4 mt -50.4 -39.2 46.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -70.36 -45.34 66.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -60.14 -30.62 69.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 32' ' ' PHE . 13.3 mt -79.6 -45.16 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.806 ' HB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -56.11 -47.35 80.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -63.61 -28.58 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 145' ' ' TYR . 0.0 OUTLIER -77.42 -24.97 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.8 OUTLIER -71.91 -53.19 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t 40.43 81.96 0.24 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 125.48 9.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 148' ' ' THR . 8.6 t -96.66 66.66 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.7 m 62.65 150.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 3.1 mt 65.64 135.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.428 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.752 HD13 ' HB3' ' A' ' 12' ' ' HIS . 1.9 mm -100.63 150.29 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.689 HG22 ' NE2' ' A' ' 13' ' ' GLN . 2.5 m -140.3 159.13 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 5' ' ' ASN . 3.0 pt20 -107.24 117.26 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' GLN . 18.3 m-80 -49.97 178.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.11 -55.23 5.08 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.45 71.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.591 1.182 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.7 157.01 42.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.36 117.64 34.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.38 154.09 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.898 ' NE2' HD21 ' A' ' 111' ' ' LEU . 15.6 p80 -104.56 156.45 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.689 ' NE2' HG22 ' A' ' 3' ' ' VAL . 3.2 mp0 -128.58 41.28 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 47.42 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.678 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -85.49 -173.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 t -124.81 147.92 57.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.405 1.739 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.72 -33.12 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.469 HG23 HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.11 -54.15 8.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 HG21 ' A' ' 15' ' ' ILE . 20.5 mt -59.18 -39.22 81.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.54 -62.09 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -51.37 -43.92 61.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.664 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 43.6 t-105 -52.76 -60.64 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 107.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' LEU . 72.1 t -45.11 -45.48 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.91 98.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.405 1.066 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.78 HG13 ' HD3' ' A' ' 30' ' ' LYS . 75.0 t -63.0 -66.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.698 HG11 ' CG2' ' A' ' 59' ' ' VAL . 59.5 t -40.43 -38.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -51.97 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -85.71 2.99 43.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' HG13 ' A' ' 26' ' ' VAL . 1.3 mptt -122.11 -84.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.33 59.34 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.805 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 4.0 m-85 57.03 56.33 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -86.55 174.29 5.69 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.043 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.4 Cg_endo -74.97 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.78 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -116.68 18.25 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 30' ' ' LYS . 22.4 t -110.74 -10.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.669 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 11.8 mm -69.32 -42.19 20.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.0 Cg_endo -75.03 -34.2 3.98 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.51 ' SD ' HG11 ' A' ' 26' ' ' VAL . 2.1 ttp -67.61 -37.79 83.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 138' ' ' LEU . 2.6 t80 -73.8 -45.52 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.2 p -59.3 -38.38 80.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.67 57.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD22 HG23 ' A' ' 19' ' ' THR . 1.3 mt -58.15 -45.06 88.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 37.0 t -82.48 -81.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.6 tt0 80.91 -17.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.25 39.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -70.53 167.64 18.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.577 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.7 OUTLIER -84.89 -173.1 0.4 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.398 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.88 -34.29 4.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -77.89 -35.45 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -67.75 -55.68 12.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.831 HD22 ' CD1' ' A' ' 134' ' ' ILE . 3.3 mt -60.84 -45.57 93.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 17.5 t30 -54.42 -41.67 69.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 ' CG2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -62.99 -48.74 77.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -53.92 -39.32 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.931 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 69' ' ' LEU . 1.2 mp -76.67 -35.49 57.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -66.51 -27.32 67.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.639 HG21 ' HD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -57.93 -58.82 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 60' ' ' GLY . 0.5 OUTLIER -56.46 178.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.708 ' N ' HG13 ' A' ' 59' ' ' VAL . . . 154.47 65.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.14 46.34 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 1.053 ' CD2' ' HB3' ' A' ' 65' ' ' ALA . 1.3 p-80 177.42 79.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 0.769 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' GLN . 5.6 mt-30 -50.43 -27.94 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -47.96 65.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.053 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . . . -59.91 -57.89 10.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.6 mmt -58.39 -37.87 76.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -55.72 -55.61 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.36 -26.56 66.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.38 -46.14 89.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -70.16 -47.48 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.46 -48.02 69.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.839 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -62.07 -61.14 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 133' ' ' TRP . 1.2 mm -43.47 -49.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.27 -38.22 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' THR . 10.7 mt-10 -63.88 -60.7 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.725 ' HG2' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -44.09 -45.73 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . . . -62.73 -48.62 78.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.87 65.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.57 -36.32 78.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.262 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -58.97 -47.99 83.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 108.008 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.68 -46.87 86.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -59.05 -40.41 85.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 80' ' ' TRP . 4.4 mt -70.52 -57.06 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.25 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 80' ' ' TRP . 86.3 m-70 -70.67 113.55 19.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.379 1.05 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 81.6 2.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 100' ' ' ARG . 3.1 p -165.11 124.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 88' ' ' ALA . 33.9 t-80 -166.44 161.74 16.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.658 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' CG ' ' A' ' 87' ' ' HIS . . . 58.47 159.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.44 120.22 3.19 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.755 HD13 ' HB3' ' A' ' 97' ' ' ARG . 96.9 mt -92.44 154.15 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.83 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -66.67 153.73 92.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 86.23 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.06 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.1 -2.13 6.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.83 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 4.3 mm-40 -78.82 108.77 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 0.737 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.637 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 8.5 ttt -50.19 95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.755 ' HB3' HD13 ' A' ' 91' ' ' ILE . 4.8 ptp85 -94.17 169.4 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.692 ' HG2' HG11 ' A' ' 86' ' ' VAL . 4.1 tp10 -65.36 118.17 47.68 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 117' ' ' TRP . 18.7 Cg_endo -74.97 60.35 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.82 ' HD2' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -71.8 81.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . 48.16 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 1.3 m 153.94 -57.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 89.1 m-20 -75.33 -32.2 60.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.541 HD13 HD13 ' A' ' 129' ' ' ILE . 79.1 mt -55.08 -19.61 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -82.61 -23.32 34.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 81.86 14.02 78.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.9 m -70.17 -38.55 75.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.5 m -107.76 -18.69 13.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.4 p -112.98 161.81 16.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.9 p -104.55 177.39 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.898 HD21 ' NE2' ' A' ' 12' ' ' HIS . 3.6 tp -57.93 -37.7 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.1 -46.83 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -38.83 86.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 103' ' ' ASP . 4.5 mm-40 -65.31 -42.09 93.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -59.42 -44.92 93.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -62.06 -47.76 87.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.1 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.717 ' HD1' HD13 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -56.04 -36.44 68.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.502 ' SD ' HG13 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -65.54 -40.55 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 119' ' ' THR . 44.1 m -100.01 22.46 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' PRO . 25.6 t-80 -84.23 171.21 12.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 44.8 m-20 -124.44 105.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.99 163.67 90.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.027 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' HIS . 18.0 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.717 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.3 mp -77.44 123.68 86.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.824 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.0 Cg_endo -75.01 49.57 2.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' SD ' ' A' ' 118' ' ' MET . 3.7 p -49.81 -34.67 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.59 -73.32 0.83 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -43.98 -34.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.3 mt -64.26 -65.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -48.91 -41.92 35.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 52' ' ' LEU . 5.3 tttm -58.14 -45.27 87.69 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.99 77.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 77' ' ' ALA . 40.2 m0 -62.85 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.592 1.182 . . . . 0.0 107.986 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.831 ' CD1' HD22 ' A' ' 52' ' ' LEU . 26.0 mt -45.11 -48.21 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.66 -34.77 59.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -59.22 -47.16 86.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.839 ' N ' HG21 ' A' ' 72' ' ' THR . . . -64.7 -49.48 63.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 40' ' ' PHE . 26.0 mt -52.4 -49.3 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.38 -46.35 90.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -36.05 68.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.628 HG21 ' HD2' ' A' ' 32' ' ' PHE . 27.7 mt -72.19 -48.19 50.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.635 ' CG2' HD11 ' A' ' 37' ' ' ILE . 2.5 t -57.55 -34.81 47.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.373 1.046 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.99 -49.04 61.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 68' ' ' MET . 29.6 ttp -59.61 -45.98 90.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.72 -48.09 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.62 93.96 30.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.928 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 81.66 2.17 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.421 1.748 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 48.3 m 62.54 140.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.99 158.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.6 mm 64.65 113.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 11' ' ' VAL . 13.4 mt -118.86 137.15 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.36 162.1 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 34.9 mt-30 -89.29 140.03 29.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -161.03 128.55 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER 73.4 122.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER 37.67 50.39 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 44.81 26.84 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 5.9 mt-30 -70.22 159.93 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -113.77 131.19 56.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.619 ' O ' HG23 ' A' ' 2' ' ' ILE . 3.1 m -149.58 157.06 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.851 ' NE2' HD21 ' A' ' 111' ' ' LEU . 16.5 p80 -97.63 153.93 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 14' ' ' ALA . 9.5 pt20 -120.1 42.8 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 46.69 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -83.02 -174.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -130.81 148.56 70.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.65 2.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -68.06 -32.27 72.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -75.3 -48.31 23.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.855 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.1 mt -64.56 -41.34 96.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -60.61 -59.45 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.19 66.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.763 ' CH2' ' CD1' ' A' ' 40' ' ' PHE . 62.2 t-105 -54.04 -61.73 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 20' ' ' LEU . 83.8 t -44.26 -40.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.383 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -40.54 90.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' A' ' 36' ' ' VAL . 3.1 t -61.8 -45.79 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' ALA . 10.6 t -66.73 -39.71 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -35.93 75.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -79.99 -47.73 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.085 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 6.0 mttt -92.28 -75.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 86.28 88.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 46.87 59.26 4.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -115.07 173.64 2.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.055 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.3 Cg_endo -74.92 -0.72 10.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.92 3.59 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' CG1' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -112.22 -14.93 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.69 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 3.6 mm -67.38 -40.99 30.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -37.8 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 43' ' ' LEU . 1.4 tmm? -64.34 -36.42 84.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.763 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 2.1 t80 -75.43 -44.25 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.458 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -60.65 -34.77 74.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.09 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.7 28.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.655 HD13 ' CE ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -62.79 -20.81 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.631 ' HB2' HD21 ' A' ' 52' ' ' LEU . 5.9 p -107.3 37.97 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.08 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -55.37 24.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.12 57.88 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 51' ' ' ASP . . . -92.6 160.28 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.593 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -83.65 -171.78 0.32 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.157 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.3 Cg_endo -75.06 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.595 1.839 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -32.19 56.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' HB3' ' HB1' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -69.66 -57.07 5.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 134' ' ' ILE . 4.3 mt -60.29 -42.94 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.58 -41.03 84.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.567 ' CG2' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -60.14 -54.38 46.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.622 ' HE3' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.4 -42.2 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.056 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD11 HD13 ' A' ' 134' ' ' ILE . 5.0 mp -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -64.69 -38.82 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -59.73 -36.76 77.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG13 ' H ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER -43.17 165.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -37.77 -47.43 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.967 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 59' ' ' VAL . . . 104.53 54.94 0.76 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 5.7 m170 -90.96 124.41 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.604 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -66.45 -44.76 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.51 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -57.53 -52.53 65.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -36.17 72.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.38 -52.87 63.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.488 ' HE3' ' HG2' ' A' ' 144' ' ' MET . 0.3 OUTLIER -60.36 -40.83 92.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.027 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.77 -37.86 80.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.96 -47.63 77.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.594 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.4 -60.07 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.91 -47.37 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -56.92 -40.13 75.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.83 -57.05 9.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -50.46 -37.89 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.84 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.75 73.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.23 85.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.651 ' CD1' ' CD2' ' A' ' 84' ' ' HIS . 1.5 t-105 -57.15 -57.34 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 107.995 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.08 -31.27 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -44.28 97.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.07 -6.39 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.651 ' CD2' ' CD1' ' A' ' 80' ' ' TRP . 92.9 m-70 -116.03 94.55 41.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 109.568 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 162.08 37.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 86' ' ' VAL . 6.4 p -170.47 66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.4 m80 -139.93 56.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' HIS . . . -179.65 91.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.73 84.61 0.29 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 95.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.569 1.826 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 97' ' ' ARG . 99.5 mt -73.62 149.65 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.692 ' HB3' ' CD ' ' A' ' 95' ' ' GLN . . . -53.03 150.63 10.08 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 85.75 1.5 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 128.69 -0.73 6.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.692 ' CD ' ' HB3' ' A' ' 92' ' ' ALA . 0.4 OUTLIER -71.45 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.638 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt 179.38 83.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 91' ' ' ILE . 2.8 mtt180 -71.62 -179.54 2.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -134.21 62.67 57.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 98' ' ' GLU . 18.4 Cg_endo -75.0 53.05 3.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' CD ' ' HB3' ' A' ' 84' ' ' HIS . 8.5 mtt-85 -40.15 123.08 1.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . 116.85 -111.89 2.4 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 12.9 m -41.11 -34.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' OD1' ' CH2' ' A' ' 117' ' ' TRP . 26.6 t0 -57.66 -48.74 78.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 129' ' ' ILE . 34.8 mt -62.63 -17.14 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 102' ' ' SER . . . -77.9 -23.53 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.21 11.33 85.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.9 m -75.85 -35.14 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.3 t -104.99 -23.82 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.0 p -111.84 162.81 14.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -106.04 -169.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.851 HD21 ' NE2' ' A' ' 12' ' ' HIS . 28.0 tp -65.17 -54.22 32.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -48.31 -47.62 36.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.225 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -60.75 -42.87 98.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.262 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.698 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.3 OUTLIER -56.29 -48.27 76.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.71 -30.71 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.54 -62.0 6.46 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.67 ' HB3' HD13 ' A' ' 124' ' ' ILE . 4.4 m-90 -57.73 -35.83 71.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 11.7 ttm -75.54 -13.34 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.9 m -119.37 21.48 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -114.5 165.01 13.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 2.8 m-20 -108.59 121.77 42.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.02 167.03 81.66 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.014 0.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 118.63 5.32 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 117' ' ' TRP . 2.8 mt -82.2 119.04 74.09 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.856 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.5 Cg_endo -74.97 46.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.493 1.786 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.806 HG23 HG23 ' A' ' 104' ' ' ILE . 2.4 p -52.78 -29.58 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.19 -69.5 1.38 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -50.12 -35.11 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.856 HD12 ' C ' ' A' ' 125' ' ' PRO . 11.4 mt -62.79 -56.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.15 -38.66 77.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -45.49 90.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 135' ' ' ILE . 10.0 ttt85 -66.23 -35.17 79.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.249 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 136' ' ' LEU . 43.7 m0 -64.1 -62.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 52' ' ' LEU . 12.6 mt -46.56 -50.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.391 1.057 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -61.69 -29.1 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 72' ' ' THR . 0.2 OUTLIER -61.58 -49.72 75.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.594 ' N ' HG21 ' A' ' 72' ' ' THR . . . -68.47 -48.7 49.5 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.661 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 15.3 mt -53.29 -46.57 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.338 0.67 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' ILE . 15.0 t-20 -59.7 -47.25 86.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.38 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 138' ' ' LEU . 25.9 mt -68.23 -49.62 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 37' ' ' ILE . 1.7 t -60.07 -26.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -70.8 -49.46 46.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.488 ' HG2' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -70.0 -18.06 63.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 144' ' ' MET . 0.3 OUTLIER -77.84 -54.67 6.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t 39.36 84.03 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 167.04 27.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.2 m -136.72 -61.13 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.6 m -163.01 79.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 13.0 tt -96.92 -33.94 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt -117.51 141.91 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.46 165.7 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 29.7 mt-30 -90.16 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -144.2 -173.6 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD23 HE22 ' A' ' 7' ' ' GLN . 0.1 OUTLIER 73.67 -56.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.617 HE22 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 165.92 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.43 30.4 0.17 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -118.61 155.7 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.445 ' CE ' ' HG3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -108.88 131.67 54.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.12 155.74 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.809 ' NE2' HD21 ' A' ' 111' ' ' LEU . 12.2 p80 -95.58 154.77 17.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.608 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.2 pt20 -124.38 42.99 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 47.14 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -89.26 -176.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 t -124.62 147.62 56.38 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.81 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.434 1.755 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -62.67 -32.51 73.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -75.25 -55.22 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 54' ' ' THR . 19.5 mt -58.99 -40.01 83.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.52 -60.29 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.86 63.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.778 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 56.6 t-105 -53.77 -59.88 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 58' ' ' THR . 26.1 t -43.99 -43.13 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -66.1 -39.45 89.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG21 ' CE ' ' A' ' 39' ' ' MET . 2.6 t -62.13 -43.5 97.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 23' ' ' TRP . 2.8 t -69.29 -39.97 79.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.45 64.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -92.75 -35.33 13.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -103.39 -67.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 88.4 63.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.683 ' CE2' HD23 ' A' ' 138' ' ' LEU . 1.0 OUTLIER 60.85 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.175 . . . . 0.0 111.043 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -120.39 175.3 2.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.01 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -107.74 2.93 24.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.778 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -107.03 -18.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.896 HD11 ' CG2' ' A' ' 142' ' ' VAL . 2.9 mm -63.8 -42.1 68.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.93 -35.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.426 1.75 . . . . 0.0 111.009 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.729 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -67.29 -36.8 82.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.62 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.6 t80 -74.04 -45.74 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 135' ' ' ILE . 5.1 p -60.08 -39.85 87.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.25 59.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.77 89.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 4.5 t -83.2 -80.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.175 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.9 tt0 81.98 -19.76 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.32 37.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB3' ' HG ' ' A' ' 52' ' ' LEU . . . -70.79 159.55 34.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.7 p -70.7 -175.84 0.33 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.449 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.5 Cg_endo -74.98 -36.77 2.37 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -72.63 -34.44 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD2' ' CA ' ' A' ' 15' ' ' ILE . 1.5 m-20 -70.2 -58.0 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 47' ' ' ALA . 11.1 mt -57.44 -41.92 81.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.83 -42.72 89.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.724 ' CG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.55 -34.91 76.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.613 ' HE2' ' HB3' ' A' ' 43' ' ' LEU . 1.8 mmm -63.21 -43.0 99.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 HG12 ' A' ' 134' ' ' ILE . 7.1 mp -75.3 -45.14 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.23 -23.66 66.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.473 ' OG1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -63.92 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.418 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.649 HG21 ' HE1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -45.03 169.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -49.56 -61.19 5.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.34 55.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 6.1 m-70 -80.02 108.53 13.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.619 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -42.71 76.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.0 70.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -58.98 -51.51 69.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.5 mmt -58.22 -39.66 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.48 -51.75 68.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.43 ' HE3' HG12 ' A' ' 141' ' ' ILE . 40.4 mtm -59.95 -38.82 83.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -34.82 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -49.45 63.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -45.38 93.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.807 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -58.37 -59.73 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.418 HD11 HG13 ' A' ' 134' ' ' ILE . 0.5 OUTLIER -46.5 -47.66 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -57.21 -36.96 71.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -63.93 -57.69 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.867 ' CG ' HD13 ' A' ' 136' ' ' LEU . 5.2 mm-40 -47.22 -45.23 23.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.586 ' HB1' ' C ' ' A' ' 101' ' ' GLY . . . -59.79 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.8 -49.05 63.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 83' ' ' LEU . 26.9 mt-10 -60.91 -35.03 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 129' ' ' ILE . 1.3 t-105 -59.81 -44.8 93.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 107.946 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.47 -46.61 87.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -58.96 -39.94 83.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 79' ' ' GLU . 2.7 mt -79.34 -80.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -70.62 116.33 44.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -169.82 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.919 HG23 ' HB3' ' A' ' 98' ' ' GLU . 1.1 p -168.23 177.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -110.25 130.85 55.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 87' ' ' HIS . . . 71.91 171.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.62 -86.59 0.84 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.34 12.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.83 HD11 ' CB ' ' A' ' 97' ' ' ARG . 1.2 tt -116.54 169.96 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.83 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -98.44 153.39 38.02 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.35 -1.07 6.07 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.83 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 14.1 mm-40 -92.31 116.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.761 . . . . 0.0 110.259 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.738 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 2.2 ttt -86.71 65.9 9.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.056 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.83 ' CB ' HD11 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -81.01 177.86 8.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.919 ' HB3' HG23 ' A' ' 86' ' ' VAL . 18.8 tt0 -58.57 120.67 47.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' HG3' ' CG ' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.04 90.11 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.499 ' HD2' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -85.21 82.37 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.586 ' C ' ' HB1' ' A' ' 77' ' ' ALA . . . 41.88 98.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER 157.82 -55.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 14.0 m-20 -73.67 -31.69 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 126' ' ' VAL . 90.4 mt -54.31 -20.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.598 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -87.61 -23.38 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ASP . . . 86.01 13.07 69.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.1 t -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.1 m -113.88 -17.21 12.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.177 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 85.0 p -114.4 161.03 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.081 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -99.84 -175.3 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' A' ' 12' ' ' HIS . 49.4 tp -62.4 -43.99 97.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -58.1 -47.31 83.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 4.9 mm-40 -60.02 -39.63 86.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.577 ' HG2' HG21 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -60.42 -46.59 89.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 111' ' ' LEU . 1.3 mp -63.01 -34.02 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.53 -53.63 42.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.738 ' CD1' ' HE2' ' A' ' 96' ' ' MET . 1.3 m0 -57.27 -44.49 84.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 ttm -73.37 -11.29 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.2 m -119.54 21.35 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.55 169.74 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -113.58 119.31 41.84 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.2 Cg_endo -75.01 164.5 88.25 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.003 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 117' ' ' TRP . 1.9 mp -82.49 118.37 71.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.413 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.04 43.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.828 HG23 HG23 ' A' ' 104' ' ' ILE . 1.2 p -45.59 -35.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.92 -64.82 3.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.64 -38.74 64.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 80' ' ' TRP . 24.8 mt -60.63 -63.2 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.224 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.1 t80 -49.22 -41.8 38.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 111.049 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -57.54 -44.4 85.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -33.94 75.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.491 ' CE2' HG22 ' A' ' 129' ' ' ILE . 42.7 m0 -65.22 -67.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.711 HG12 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -43.52 -46.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' A' ' 135' ' ' ILE . 2.6 mm -61.78 -40.92 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.867 HD13 ' CG ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.807 ' N ' HG21 ' A' ' 72' ' ' THR . . . -65.58 -51.63 46.09 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.683 HD23 ' CE2' ' A' ' 32' ' ' PHE . 18.4 mt -55.22 -32.06 61.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.38 -45.88 65.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -35.86 81.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.43 HG12 ' HE3' ' A' ' 68' ' ' MET . 10.7 mt -69.88 -50.27 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.896 ' CG2' HD11 ' A' ' 37' ' ' ILE . 8.7 t -61.56 -32.16 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -47.87 81.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.94 -45.83 90.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.388 1.055 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -53.2 -50.82 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.7 t 39.38 69.66 1.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.437 1.756 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.4 m -138.99 153.29 48.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.0 m -47.36 118.38 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.943 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.9 mt -141.02 140.16 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 151' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.08 -0.392 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.508 HD13 ' SD ' ' A' ' 118' ' ' MET . 20.2 mt -116.81 140.03 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.657 HG13 ' NE2' ' A' ' 13' ' ' GLN . 21.0 m -134.08 163.47 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 19.8 tt0 -106.35 118.5 36.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' GLN . 16.6 m-80 -49.1 176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.31 -55.23 5.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -51.06 -62.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.79 70.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -148.91 157.69 43.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.65 117.76 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.44 153.85 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.866 ' NE2' HD21 ' A' ' 111' ' ' LEU . 13.4 p80 -104.09 158.85 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.657 ' NE2' HG13 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.92 42.43 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' CD ' ' A' ' 1' ' ' PRO . . . 50.25 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.819 HG21 HD11 ' A' ' 20' ' ' LEU . 1.1 tt -80.84 -172.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -125.41 148.46 61.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -37.56 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -31.61 71.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -47.68 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 15' ' ' ILE . 25.7 mt -64.92 -41.27 95.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.36 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.48 -45.07 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.653 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 63.7 t-105 -52.99 -60.92 2.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 58' ' ' THR . 20.0 t -43.37 -45.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -62.25 -43.33 99.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.727 HG21 ' CE ' ' A' ' 39' ' ' MET . 64.2 t -63.01 -66.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.653 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 66.9 t -42.92 -40.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -57.44 -54.62 44.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.21 26.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 12.3 mmtm -122.91 -83.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 90.22 77.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' CD1' ' C ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER 27.91 49.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -89.75 179.1 1.65 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.776 ' HB3' HG11 ' A' ' 142' ' ' VAL . 18.4 Cg_endo -74.97 1.09 8.11 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.477 1.777 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 34.6 mt-10 -109.46 -10.11 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.501 HG23 ' CG1' ' A' ' 26' ' ' VAL . 1.4 p -107.31 -14.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.701 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 38.0 mt -63.73 -40.73 59.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.701 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -38.55 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.448 1.762 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.727 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -66.88 -33.56 75.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 3.9 t80 -75.27 -44.75 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.468 ' CB ' HG12 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -60.37 -40.75 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.067 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.31 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -57.78 -44.95 86.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 20.0 t -84.71 -80.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 80.76 -17.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 160.23 37.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB1' ' CG ' ' A' ' 51' ' ' ASP . . . -70.09 143.81 52.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -48.95 179.91 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.465 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 18.6 Cg_endo -75.04 -35.82 2.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -76.82 -32.16 57.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.815 ' CG ' HD12 ' A' ' 15' ' ' ILE . 4.2 t70 -69.14 -55.58 10.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 134' ' ' ILE . 1.7 mt -59.17 -49.44 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -55.32 -38.35 68.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.546 HG22 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.15 -50.48 73.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.444 ' CE ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -59.84 -33.16 71.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.001 HD11 ' CD1' ' A' ' 134' ' ' ILE . 41.9 mt -72.45 -46.4 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -68.06 -20.43 64.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -70.53 -35.99 73.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.89 169.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -52.23 -81.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 165.53 55.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -87.09 105.36 17.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.35 64.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 109.336 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 62' ' ' HIS . . . -60.86 -53.6 55.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.51 -36.43 71.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -61.2 -53.15 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 3.8 mtm -59.72 -40.51 88.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 141' ' ' ILE . 3.9 tt -60.66 -40.47 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -62.27 -48.45 79.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.4 -45.5 80.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.711 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -60.6 -60.41 3.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -46.2 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.26 -38.77 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -58.47 6.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 133' ' ' TRP . 7.6 tp10 -47.31 -41.7 19.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.4 72.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.5 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -33.77 73.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -62.04 -43.1 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.79 -40.39 72.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -58.95 -45.2 91.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -76.16 -45.91 31.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.415 ' CB ' ' HG2' ' A' ' 100' ' ' ARG . 19.8 m-70 -115.12 90.59 24.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.37 39.88 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' ' CD ' ' A' ' 100' ' ' ARG . 7.3 p -169.4 126.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.35 91.74 6.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.674 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.8 91.3 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.27 -69.83 0.01 OUTLIER Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.35 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 97' ' ' ARG . 96.4 mt -132.13 148.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.895 ' HB3' ' HG3' ' A' ' 95' ' ' GLN . . . -73.9 153.83 88.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 85.49 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 131.64 -2.25 5.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.895 ' HG3' ' HB3' ' A' ' 92' ' ' ALA . 2.6 mm-40 -85.49 110.87 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.578 ' HE2' ' CD1' ' A' ' 117' ' ' TRP . 25.6 ttt -53.09 101.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -68.13 -178.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.431 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -132.24 63.04 66.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' GLY . 18.3 Cg_endo -74.98 88.83 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -37.62 -30.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -136.72 154.42 22.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 101' ' ' GLY . 4.6 t 99.24 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.589 ' CG ' ' CE3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -81.84 -37.0 27.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.168 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.795 ' HA ' HG23 ' A' ' 126' ' ' VAL . 78.1 mt -57.17 -23.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.82 -23.47 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.42 77.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -75.67 -33.44 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.363 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -102.42 -23.22 13.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 92.6 p -114.5 161.59 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.9 p -93.22 178.56 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.866 HD21 ' NE2' ' A' ' 12' ' ' HIS . 23.4 tp -57.94 -54.14 50.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -46.93 -46.25 21.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 59.3 mm-40 -59.64 -43.95 93.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.806 ' HG3' HG21 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -58.1 -43.03 86.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 119' ' ' THR . 1.3 mp -64.55 -35.07 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.55 -54.77 33.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.589 ' CE3' ' CG ' ' A' ' 103' ' ' ASP . 1.9 m-90 -57.58 -40.47 79.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 2' ' ' ILE . 54.5 ttm -75.82 -15.58 60.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 119' ' ' THR . 70.3 m -111.12 20.99 16.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.22 170.74 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 1.7 t-20 -117.13 114.6 38.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.95 163.85 89.73 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.04 -0.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.5 5.3 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.502 1.79 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 117' ' ' TRP . 2.4 mp -73.91 120.49 81.51 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.819 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.2 Cg_endo -75.05 47.22 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.422 1.748 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.806 HG21 ' HG3' ' A' ' 114' ' ' GLN . 1.5 p -52.53 -30.78 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.49 -71.59 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.27 -33.15 8.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 0.746 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 125' ' ' PRO . 23.7 mt -64.55 -58.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -56.45 -38.8 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.29 -46.21 89.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 32.4 ttt180 -68.51 -35.29 77.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 76' ' ' GLU . 39.9 m0 -62.36 -63.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 107.987 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 1.001 ' CD1' HD11 ' A' ' 56' ' ' LEU . 28.0 mt -45.89 -51.89 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -60.19 -28.49 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 133' ' ' TRP . 0.2 OUTLIER -63.0 -48.91 76.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.711 ' N ' HG21 ' A' ' 72' ' ' THR . . . -62.14 -50.66 63.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.84 ' HA ' HD12 ' A' ' 141' ' ' ILE . 13.0 mt -54.17 -44.47 71.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 0.808 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -46.14 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -34.94 79.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.84 HD12 ' HA ' ' A' ' 138' ' ' LEU . 37.7 mt -64.44 -50.52 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.776 HG11 ' HB3' ' A' ' 34' ' ' PRO . 42.9 t -66.24 -32.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -62.81 -39.0 92.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.1 ttp -74.38 -44.12 53.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -53.01 -51.0 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t 40.08 79.9 0.3 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 98.2 m -140.53 165.98 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.87 -52.21 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mm 66.18 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 151' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 mt -115.1 141.86 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.19 165.28 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.78 137.44 33.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -101.81 151.48 22.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -50.66 -37.25 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 2.4 mp0 -38.14 -47.0 1.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.3 51.11 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -172.92 155.71 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttm -92.41 124.97 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 m -135.2 156.62 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.857 ' NE2' HD21 ' A' ' 111' ' ' LEU . 7.4 p80 -90.83 155.56 18.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.648 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 28.8 pt20 -131.72 44.41 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' GLN . . . 48.13 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 HD11 ' A' ' 20' ' ' LEU . 1.2 tt -80.67 -173.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -120.71 146.82 44.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.18 -32.02 73.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.577 HG23 HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.723 HD11 HG21 ' A' ' 15' ' ' ILE . 18.0 mt -60.08 -40.85 90.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.85 -58.9 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -52.52 -45.61 66.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.86 ' CZ3' HG22 ' A' ' 36' ' ' VAL . 67.6 t-105 -54.25 -58.95 5.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.019 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 18.9 t -43.82 -43.8 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -66.78 -39.17 87.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 22' ' ' ALA . 59.6 t -62.03 -66.39 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 7.1 t -53.74 -39.58 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 31.3 tt0 -58.75 -35.75 73.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.08 . . . . 0.0 110.375 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -52.58 8.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -91.47 -71.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 30' ' ' LYS . . . 87.0 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.721 ' CE2' ' HB1' ' A' ' 65' ' ' ALA . 7.1 m-85 57.66 88.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.541 ' H ' HG12 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -153.22 175.06 3.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.955 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 33' ' ' SER . 18.1 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -100.94 -11.26 19.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.86 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -108.81 -21.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 8.2 mt -62.29 -42.06 78.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 17.9 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.693 ' CE ' HG21 ' A' ' 26' ' ' VAL . 2.2 mtp -68.48 -34.34 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' CH2' ' A' ' 23' ' ' TRP . 8.5 t80 -74.8 -45.32 44.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' OG ' ' CG1' ' A' ' 135' ' ' ILE . 3.1 m -60.22 -40.87 91.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.98 59.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -58.39 -44.79 89.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 10.1 t -81.47 -81.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.0 OUTLIER 81.5 -18.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.3 38.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.69 162.74 28.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 p -77.32 -173.97 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 48' ' ' THR . 18.1 Cg_endo -75.07 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.62 -31.67 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -71.7 -60.12 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 134' ' ' ILE . 6.9 mt -56.67 -43.58 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.18 -43.59 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.02 -54.17 45.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.419 ' HE2' ' CE1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -52.62 -34.91 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 134' ' ' ILE . 6.0 mp -70.08 -44.9 68.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.96 -25.76 67.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' VAL . 0.9 OUTLIER -63.88 -43.08 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 110.377 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -44.97 168.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' HG13 ' A' ' 59' ' ' VAL . . . -46.75 -53.4 10.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.42 54.85 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -85.41 123.14 30.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 0.811 . . . . 0.0 109.638 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.9 -38.19 79.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -50.42 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB1' ' CE2' ' A' ' 32' ' ' PHE . . . -59.36 -53.9 52.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mmt -58.77 -36.87 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.71 -54.14 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 141' ' ' ILE . 1.4 mtp -59.81 -40.79 89.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 141' ' ' ILE . 1.4 tt -60.86 -34.12 74.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.375 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -47.96 62.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.59 -48.7 68.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.73 HG21 ' N ' ' A' ' 137' ' ' GLY . 0.9 OUTLIER -59.92 -60.31 4.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -46.41 -45.46 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -61.28 -35.05 76.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.3 tt0 -63.97 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.812 ' HG3' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -45.3 -41.37 8.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.695 ' HB2' ' CH2' ' A' ' 133' ' ' TRP . . . -59.72 -49.42 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.96 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.632 ' O ' HD12 ' A' ' 83' ' ' LEU . 1.3 mm-40 -61.05 -33.49 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -61.64 -47.66 84.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 107.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -58.77 -48.4 81.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -60.83 -35.05 75.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.649 1.218 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 79' ' ' GLU . 3.9 mt -73.83 -71.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.75 112.67 12.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 55.93 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' HG2' ' A' ' 98' ' ' GLU . 2.0 p -61.45 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 179.74 49.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.87 -176.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.85 139.74 7.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 65.74 6.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.44 1.758 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.633 HD13 ' OE1' ' A' ' 95' ' ' GLN . 24.6 mm -53.61 112.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -68.09 149.83 97.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 46.21 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.34 13.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.633 ' OE1' HD13 ' A' ' 91' ' ' ILE . 2.1 pt20 -117.91 -164.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 117' ' ' TRP . 1.6 ptm -125.08 156.07 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HG2' HD12 ' A' ' 91' ' ' ILE . 17.5 mtm105 -100.82 179.67 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.08 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.517 ' HG2' HG23 ' A' ' 86' ' ' VAL . 1.6 pm0 -86.94 120.56 71.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HG3' ' CE2' ' A' ' 117' ' ' TRP . 18.1 Cg_endo -75.09 133.65 16.71 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -88.26 36.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA2' HD12 ' A' ' 104' ' ' ILE . . . 83.46 -47.59 3.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -37.93 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 99' ' ' PRO . 0.3 OUTLIER -69.16 -34.77 75.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.069 HG23 HG23 ' A' ' 126' ' ' VAL . 66.4 mt -59.13 -18.38 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 130' ' ' TYR . . . -83.26 -22.98 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.37 15.7 56.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.083 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 55.4 m -66.05 -38.95 89.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 0.768 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.7 p -115.4 -15.92 11.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.462 ' HB2' ' CB ' ' A' ' 113' ' ' GLU . 40.8 p -114.29 160.42 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 78.0 p -107.11 -177.93 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' A' ' 12' ' ' HIS . 27.9 tp -56.56 -48.14 77.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.5 -46.04 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 109' ' ' SER . 2.7 mt-10 -58.87 -42.38 89.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 49' ' ' PRO . 1.1 tt0 -58.32 -46.77 85.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.2 -36.12 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 120' ' ' HIS . . . -61.3 -57.81 16.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.599 ' CD1' ' CE ' ' A' ' 96' ' ' MET . 2.1 m0 -55.97 -32.7 64.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -17.39 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 119' ' ' THR . 30.7 m -118.44 21.27 12.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 116' ' ' GLY . 2.5 t60 -100.75 168.78 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.571 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 122' ' ' PRO . 6.8 m120 -117.55 114.37 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 121' ' ' ASN . 18.3 Cg_endo -74.94 163.72 90.03 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.079 -2.467 . . . . 0.0 111.015 -0.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.495 HD13 ' HD1' ' A' ' 117' ' ' TRP . 3.7 mp -84.19 124.08 74.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.659 ' C ' HD12 ' A' ' 129' ' ' ILE . 18.3 Cg_endo -75.05 46.87 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.069 HG23 HG23 ' A' ' 104' ' ' ILE . 2.7 p -45.58 -34.14 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.45 -70.22 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.0 -39.63 9.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.446 0.733 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 125' ' ' PRO . 16.5 mt -59.28 -58.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' A' ' 105' ' ' ALA . 1.8 t80 -55.99 -37.67 69.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -55.77 -49.02 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.7 OUTLIER -67.84 -30.1 69.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.695 ' CH2' ' HB2' ' A' ' 77' ' ' ALA . 11.5 m0 -62.24 -70.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 108.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.588 HG21 HD11 ' A' ' 56' ' ' LEU . 53.2 mt -44.59 -49.19 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 131' ' ' LYS . 1.3 mp -57.32 -36.8 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.812 HD13 ' HG3' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -57.8 -48.29 80.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.73 ' N ' HG21 ' A' ' 72' ' ' THR . . . -60.45 -49.48 78.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 141' ' ' ILE . 38.7 mt -55.17 -41.41 71.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.49 -47.14 86.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -34.97 75.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.181 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.708 HD13 ' HE2' ' A' ' 32' ' ' PHE . 64.0 mt -66.77 -49.42 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -33.61 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -62.14 -44.67 96.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 ttp -79.05 -17.5 55.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.23 -28.32 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.472 ' CB ' ' HD3' ' A' ' 147' ' ' PRO . 0.2 OUTLIER -48.45 -54.77 23.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 146' ' ' SER . 18.3 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 t -48.35 160.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -179.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 11.3 mt -61.46 135.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 stop_ save_