data_1o6x_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 1o6x _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 ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 46' ' ' PRO . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.603 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' N ' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 52' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.512 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.8 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG1' HD12 ' A' ' 13' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 ' CB ' ' A' ' 17' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.415 ' CG2' HG23 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.619 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.521 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 9.0 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG1' HD13 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.535 ' ND2' ' CG2' ' A' ' 62' ' ' VAL . 50.7 t30 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.535 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 53' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 5.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 45' ' ' THR . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.563 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.4 m80 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.527 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' N ' HG21 ' A' ' 52' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 62' ' ' VAL . 61.9 t30 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.553 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' GLN . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.3 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.464 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.465 ' CG ' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 3.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 39' ' ' PHE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 40' ' ' TRP . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.528 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 9.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.482 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.649 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.7 t30 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 52' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.649 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 HG13 ' CB ' ' A' ' 17' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.524 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 13' ' ' LEU . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 13.7 m-80 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' N ' HG21 ' A' ' 52' ' ' VAL . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.524 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' CG ' ' HA ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.672 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 15' ' ' ILE . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 30' ' ' GLU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.444 ' CG2' HG23 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 HG22 ' CG2' ' A' ' 54' ' ' VAL . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 HG22 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HD13 ' CA ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.465 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 16.1 t30 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.8 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 ' CG1' HD12 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' N ' HG21 ' A' ' 52' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.537 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 5.0 t30 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.537 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.625 ' CB ' ' CE1' ' A' ' 73' ' ' TYR . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.2 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CG1' HD13 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CG1' ' CB ' ' A' ' 17' ' ' PRO . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.528 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.502 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.6 ' CB ' ' CE1' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.1 pt20 -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.402 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG1' HD13 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 69' ' ' GLN . 3.4 m120 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' CG ' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.2 m80 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.501 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG2' ' CD1' ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.453 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.5 m80 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.4 t30 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 66' ' ' LEU . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.645 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.443 HG21 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 23' ' ' ILE . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' N ' HD12 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.527 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.635 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.7 m-20 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' LEU . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 41' ' ' LYS . 1.9 m80 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.442 HG22 ' CG2' ' A' ' 54' ' ' VAL . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.459 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.477 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' SER . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG1' HD13 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.8 m-20 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' CD2' ' CG ' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.4 mm-40 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.468 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.468 ' CG2' HG23 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' CB ' ' HG2' ' A' ' 55' ' ' PRO . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' NZ ' ' CD1' ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.488 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.49 ' CD1' HG22 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 11.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' N ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 11' ' ' GLN . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.459 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 4.0 t30 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CG ' ' CD1' ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 12' ' ' VAL . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.491 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -146.38 165.74 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -179.78 149.15 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.4 mt -147.23 144.97 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 6' ' ' THR . 1.5 tp10 -116.66 153.26 32.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 7.9 p -157.09 173.4 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 9.6 m-85 -172.38 -175.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -147.87 -177.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.15 107.19 0.2 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.58 -174.99 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 46' ' ' PRO . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.603 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 mm100 -48.73 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 2.5 mm-40 -54.31 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.5 m-70 -176.44 -56.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -43.19 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 49.36 62.09 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -86.98 153.67 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' N ' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 52' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.512 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -93.62 -141.71 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.491 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 13.7 t0 -158.23 110.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.91 118.74 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.535 0.207 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -179.35 131.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.216 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -122.18 106.14 10.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.004 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.12 172.14 13.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.51 176.25 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -127.29 -169.72 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -166.1 -175.3 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.617 1.198 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 2.8 t -98.97 -80.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . 128.15 149.0 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.8 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG1' HD12 ' A' ' 13' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG13 ' CB ' ' A' ' 17' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -57.76 85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -57.14 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 33' ' ' GLU . 20.4 m-70 -175.62 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD1' ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -66.62 -33.46 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 66.17 58.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -90.39 149.05 22.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.415 ' CG2' HG23 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.619 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.521 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.35 -144.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.41 75.53 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.47 106.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.408 0.147 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.94 153.25 20.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -89.42 -163.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 mt -136.71 173.22 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.79 150.21 31.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 53.1 p -108.92 -172.47 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 25.2 m-85 -167.56 -175.37 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.188 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.35 -150.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.517 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -147.57 152.4 24.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.07 -175.02 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 9.0 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG1' HD13 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLU . 6.3 mm100 -51.13 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 34' ' ' HIS . 7.6 pt-20 -38.64 -45.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 28.2 m-70 -40.96 -49.77 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 16.0 mt -83.64 -94.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 17.9 tt0 81.45 69.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.53 156.26 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.535 ' ND2' ' CG2' ' A' ' 62' ' ' VAL . 50.7 t30 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.535 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -137.42 -144.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -91.24 75.83 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 2.7 p -94.24 113.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.238 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 172.18 -175.88 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -110.98 -175.15 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 mt -109.61 142.96 39.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -116.12 129.73 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 80.9 p -105.93 169.55 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.458 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' THR . 41.5 m-85 -167.25 -175.42 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.68 162.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.63 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' CB ' ' CD ' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -76.67 -175.05 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 30.4 mm-40 -43.56 104.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.12 -55.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -54.3 -43.96 71.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 13.2 mt -97.41 46.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.205 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 1.1 tm0? -68.33 64.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 5.0 mt -62.13 153.23 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 45' ' ' THR . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.4 m80 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.484 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.527 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 1.5 pt-20 -96.94 -142.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 17.0 m-20 -87.46 74.41 9.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.46 106.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.54 0.21 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.31 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -98.55 -165.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -154.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -114.51 166.23 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -115.21 -169.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -172.76 153.45 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.8 p -74.87 -150.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -136.59 -107.74 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -176.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.0 mm100 -54.84 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -52.21 90.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 4.4 m-70 -176.44 -56.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -68.51 -57.55 5.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 66.2 56.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -87.29 148.4 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' N ' HG21 ' A' ' 52' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 62' ' ' VAL . 61.9 t30 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.553 ' CG2' ' ND2' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' GLN . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.25 -144.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 72.53 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 2.2 p -93.82 113.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' VAL . 1.1 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.471 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.1 144.39 36.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -92.5 -162.92 0.98 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.99 170.15 16.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -109.59 176.85 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 m -157.07 171.52 20.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.8 153.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.07 167.93 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.45 178.6 18.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -175.85 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.3 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.464 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.465 ' CG ' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 33.7 mm-40 -49.46 103.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -54.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -54.69 -43.91 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' GLN . 12.4 mt -94.12 45.55 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.475 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 1.2 tm0? -67.42 65.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 3.4 mt -72.86 165.03 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 39' ' ' PHE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 40' ' ' TRP . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.528 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD21 ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 9.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.482 HG22 ' CD2' ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.54 -141.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -159.51 111.22 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -51.59 105.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -143.22 177.25 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -139.95 -176.49 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.91 160.25 40.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.44 -175.44 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 p -84.4 173.37 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.86 153.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.21 -176.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.44 40.85 0.97 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -83.86 -174.98 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.213 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.649 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.7 t30 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.5 mm100 -49.7 100.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.0 -38.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.684 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' GLN . 13.4 mt -101.49 48.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 1.2 tm0? -67.59 64.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -76.08 155.14 35.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 52' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.649 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -126.73 -144.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.71 72.44 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -102.25 117.48 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.5 0.191 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -170.08 70.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -163.08 177.14 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.1 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.196 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -116.09 156.93 25.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 45.5 p -119.8 175.67 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 6' ' ' THR . 27.0 m-85 -167.48 -175.4 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.9 p -141.88 -150.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -139.6 125.41 3.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -175.07 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HG13 ' CB ' ' A' ' 17' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.1 mm-40 -48.87 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -44.28 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' GLN . 8.9 m-70 -72.01 -44.18 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 29' ' ' LEU . 12.1 mt -101.48 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -67.51 65.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -69.53 152.23 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.524 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.1 -143.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -90.35 75.45 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.5 p -90.22 111.98 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.544 0.211 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.87 130.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.76 176.96 9.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.8 165.58 19.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.42 153.33 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 58.7 p -125.95 171.19 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 14.6 m-85 -167.49 -175.37 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 2.8 t -107.68 -80.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . 135.41 -118.24 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -175.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.353 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 13' ' ' LEU . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 13.7 m-80 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LEU . 11.7 mm-40 -46.79 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 2.3 mp0 -38.25 -57.82 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -54.65 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.581 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 12.6 mt -93.02 45.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 15.0 mt-30 -67.67 65.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt -71.28 165.27 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' N ' HG21 ' A' ' 52' ' ' VAL . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.524 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -127.68 -144.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -85.32 73.73 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.1 106.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.503 0.192 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.38 170.42 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -164.5 109.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -128.76 158.28 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.28 157.29 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 p -140.34 154.07 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -167.46 -175.41 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.29 -179.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.51 27.42 2.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 111.08 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -85.72 -176.82 6.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 0.735 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' CG ' ' HA ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.672 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 35' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 66.0 mm-40 -55.38 99.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 18.8 mm-40 -38.49 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -41.22 -42.72 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' CD2' ' ND2' ' A' ' 58' ' ' ASN . 17.2 mt -100.73 48.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.1 mt-30 -67.93 64.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 149.5 35.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' ND2' ' CD2' ' A' ' 35' ' ' LEU . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 15' ' ' ILE . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -97.8 -142.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 14.0 t0 -162.01 112.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.4 p -86.41 107.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.513 0.196 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -107.93 138.15 44.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -69.75 136.16 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.75 167.61 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 3.6 tt0 -93.75 133.91 36.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.0 p -102.74 157.9 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 5' ' ' GLU . 8.4 m-85 -167.26 -175.35 2.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -136.74 -59.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.67 74.53 1.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.09 177.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 50.3 mm-40 -51.44 102.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.1 tt0 -37.76 -60.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -41.3 -42.72 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 15.3 mt -99.88 47.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -67.48 64.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -79.53 164.61 23.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 30' ' ' GLU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' CG2' HG23 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 HG22 ' CG2' ' A' ' 54' ' ' VAL . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG22 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.45 -144.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.03 73.18 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.41 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.552 0.215 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.57 144.95 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 161.77 26.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.44 166.35 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.0 136.09 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -125.83 168.72 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.7 -150.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -131.11 81.36 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.593 1.183 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.12 173.16 7.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HD13 ' CA ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 35' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 18.2 mm100 -56.45 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' GLN . 14.7 tt0 -38.13 -57.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -41.08 -42.97 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 29' ' ' LEU . 24.8 mt -100.2 48.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.77 65.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -76.97 148.85 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 16.1 t30 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.7 -143.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 73.89 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.47 106.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.462 0.172 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -176.8 152.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 5' ' ' GLU . 46.9 tp -149.21 162.58 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 25.0 tt0 -116.07 107.65 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.6 p -153.56 161.82 41.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.82 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.38 165.97 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.06 73.92 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.76 179.38 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.8 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' CG1' HD12 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' LEU . 67.8 mm-40 -55.32 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 14.5 mm-40 -38.91 -31.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 7.1 t60 -59.69 -49.22 78.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 34' ' ' HIS . 12.9 mt -103.54 51.07 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.473 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 1.1 tm0? -67.36 64.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -72.38 165.42 24.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' CA ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' N ' HG21 ' A' ' 52' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.537 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 5.0 t30 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.537 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.625 ' CB ' ' CE1' ' A' ' 73' ' ' TYR . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -124.27 -144.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.19 77.43 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.223 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.0 p -42.7 106.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.42 0.152 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -179.64 97.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -178.83 141.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -141.8 162.91 34.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.69 162.6 17.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 76.2 p -134.27 159.23 41.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 6' ' ' THR . 30.4 m-85 -167.1 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.23 161.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.69 174.55 17.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.21 -175.81 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.2 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' OE2' ' C ' ' A' ' 74' ' ' SER . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CG1' HD13 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CG1' ' CB ' ' A' ' 17' ' ' PRO . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 12.1 mm100 -51.57 101.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -38.0 -60.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -41.03 -42.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' GLN . 19.5 mt -100.42 48.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.43 65.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -74.66 165.5 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.528 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.502 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.6 ' CB ' ' CE1' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 69' ' ' GLN . 1.1 pt20 -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.402 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -94.33 -141.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 3.3 m-20 -88.68 74.85 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.37 106.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.526 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -83.51 96.72 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -44.99 124.95 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 5' ' ' GLU . 6.7 tt -43.64 162.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 3.0 tt0 -116.72 158.08 24.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' CD2' ' A' ' 7' ' ' PHE . 23.0 p -100.22 166.87 10.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' CD2' ' C ' ' A' ' 6' ' ' THR . 1.6 p90 -175.8 153.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.7 p -90.94 -150.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.545 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . 129.29 142.86 5.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.09 -176.85 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG1' HD13 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 69' ' ' GLN . 3.4 m120 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' HIS . 23.1 mm-40 -60.61 81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.4 mt-10 -51.46 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.9 m-70 -175.69 -57.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -62.54 -39.22 92.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 54.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -86.55 148.17 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' CG ' HD21 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.2 m80 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.501 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 HG22 ' CD2' ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.03 -144.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 77.24 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.63 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.255 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.435 0.16 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 179.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -150.54 -177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.29 152.57 45.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.93 151.6 36.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -96.42 165.97 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.439 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.03 153.94 1.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.79 172.24 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.31 93.35 0.15 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.33 159.69 15.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG2' ' CD1' ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' CG1' HD13 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.453 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' HIS . 36.8 mm-40 -67.38 68.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 7.7 pt-20 -49.35 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 91.8 m-70 -160.5 -44.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.683 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.613 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 90.1 mt -69.21 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.598 1.186 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 157.22 47.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp -94.38 164.04 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' THR . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.5 m80 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.4 t30 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 HG22 ' CD2' ' A' ' 66' ' ' LEU . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' CD1' ' CG2' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -138.91 -144.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.04 73.59 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.77 106.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.245 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.482 0.182 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.87 141.77 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -142.74 123.34 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -159.92 147.59 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -106.05 147.38 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 p -90.23 162.21 15.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 2.9 t80 -157.97 -171.8 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 7' ' ' PHE . 2.1 t -148.34 160.31 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.28 113.31 1.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.89 170.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 45' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.645 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -38.76 105.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.71 82.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -174.57 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 34' ' ' HIS . 12.1 mt -95.86 -65.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 57.63 54.52 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -77.74 161.4 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 HG21 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 23' ' ' ILE . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' N ' HD12 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.527 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 58' ' ' ASN . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.589 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.488 HG22 ' CD2' ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.635 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.38 -141.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.99 74.32 9.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 1.6 p -91.63 112.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.45 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -82.98 164.93 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -103.14 -178.98 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.15 172.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.78 176.05 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -54.32 -169.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -130.39 -170.8 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.8 p -96.55 -150.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.522 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -161.48 -174.02 30.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -71.84 -176.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.7 m-20 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' LEU . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 5.7 mm-40 -37.54 114.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -68.08 62.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 28.4 p80 -176.29 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.646 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 37' ' ' LEU . 12.1 mt -100.62 42.67 1.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 1.1 tm0? -67.42 65.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -71.53 166.81 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 41' ' ' LYS . 1.9 m80 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.442 HG22 ' CG2' ' A' ' 54' ' ' VAL . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HD3' ' CE2' ' A' ' 73' ' ' TYR . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.459 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.477 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.13 -142.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.87 51.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 2.3 p -103.21 115.96 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -101.58 163.24 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -98.68 170.48 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 171.96 7.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.57 159.64 15.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 p -101.11 -169.45 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.18 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -146.28 -171.5 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.8 p -106.02 -150.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -162.64 -179.79 37.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -72.91 -176.82 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' SER . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG1' HD13 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.8 m-20 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' CD2' ' CG ' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 13.4 mm-40 -36.58 114.29 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.19 62.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 29.2 p80 -176.17 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 11.5 mt -99.85 44.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 2.3 tm0? -67.55 65.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.93 165.05 22.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.468 HG23 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.468 ' CG2' HG23 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.481 ' OD1' ' CD2' ' A' ' 35' ' ' LEU . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' NZ ' ' CD1' ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.488 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.49 ' CD1' HG22 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.96 -142.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -143.87 51.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 1.7 p -97.84 113.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.578 0.227 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -23.52 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -141.15 118.32 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -129.08 -173.95 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.368 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.28 146.73 33.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -44.57 168.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.577 1.173 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -157.47 -171.71 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.547 ' CG1' ' N ' ' A' ' 9' ' ' GLY . 1.7 p -122.21 -150.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' CG1' ' A' ' 8' ' ' VAL . . . -103.84 173.71 21.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.64 179.95 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 11.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' LEU . 5.9 mm-40 -54.49 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.0 tt0 -38.73 -46.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLU . 41.4 m-70 -39.92 -42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 12.7 mt -88.08 -73.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.07 57.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -80.25 163.77 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' N ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 11' ' ' GLN . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.459 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 4.0 t30 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CG ' ' CD1' ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 12' ' ' VAL . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -123.09 -144.33 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.42 63.18 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 80' ' ' VAL . 4.1 p -74.11 106.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 13' ' ' LEU . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 49' ' ' THR . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.64 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 44' ' ' THR . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.749 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 t-20 -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 44' ' ' THR . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 16' ' ' VAL . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG22 ' A' ' 12' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 54' ' ' VAL . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.486 HG21 HG21 ' A' ' 54' ' ' VAL . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.2 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD13 HD11 ' A' ' 26' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' THR . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 43' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 15' ' ' ILE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.026 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.703 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.504 ' CG2' HG22 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 16' ' ' VAL . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.026 HG23 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.898 HG21 HG21 ' A' ' 54' ' ' VAL . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.876 HG21 HD23 ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG23 ' OE1' ' A' ' 11' ' ' GLN . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 13.8 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 49' ' ' THR . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.696 HG22 HG22 ' A' ' 16' ' ' VAL . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.9 m-70 -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.666 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.4 t-20 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 54' ' ' VAL . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.879 HD23 HG21 ' A' ' 71' ' ' ILE . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.879 HG21 HD23 ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.836 HG22 HG22 ' A' ' 49' ' ' THR . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 46' ' ' PRO . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 HD23 ' A' ' 29' ' ' LEU . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 37' ' ' LEU . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' HD21 ' A' ' 29' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.836 HG22 HG22 ' A' ' 16' ' ' VAL . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.5 m-70 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 8.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' LEU . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' THR . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.954 HG22 HG22 ' A' ' 49' ' ' THR . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.804 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.765 ' CD2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.954 HG22 HG22 ' A' ' 16' ' ' VAL . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.8 m-70 -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.514 ' HG2' HG22 ' A' ' 12' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.765 HG22 ' CD2' ' A' ' 37' ' ' LEU . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 62' ' ' VAL . 61.9 t30 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' VAL . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.886 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.886 HG21 HD23 ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 75' ' ' ILE . 10.7 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CG1' HD11 ' A' ' 13' ' ' LEU . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 49' ' ' THR . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.711 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.463 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.687 ' CG ' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 17' ' ' PRO . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.806 ' HG ' HD12 ' A' ' 37' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 29' ' ' LEU . 3.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 16' ' ' VAL . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.828 ' HG2' HG22 ' A' ' 12' ' ' VAL . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 22.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.469 HG23 ' OE1' ' A' ' 11' ' ' GLN . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 21.8 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' LEU . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.439 HD13 HD11 ' A' ' 26' ' ' LEU . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 HG22 ' A' ' 49' ' ' THR . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 71' ' ' ILE . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 37' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.907 HG22 HG22 ' A' ' 16' ' ' VAL . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.9 m-70 -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.637 ' HG2' HG22 ' A' ' 12' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 62' ' ' VAL . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG23 ' OD1' ' A' ' 58' ' ' ASN . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.914 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.914 HG21 HD23 ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 75' ' ' ILE . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.824 ' OE1' HG23 ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 49' ' ' THR . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 46' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD23 ' HG2' ' A' ' 43' ' ' PRO . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.761 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.3 m-70 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.734 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.881 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.881 HG21 HD23 ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 78' ' ' GLU . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.824 HG23 ' OE1' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' HG21 ' A' ' 75' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 49' ' ' THR . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 49' ' ' THR . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 37' ' ' LEU . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.968 HG22 HG22 ' A' ' 16' ' ' VAL . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.2 m-70 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 71' ' ' ILE . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 9.4 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 49' ' ' THR . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 71' ' ' ILE . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.408 HD11 ' CA ' ' A' ' 46' ' ' PRO . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.753 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.9 t-20 -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.687 HG22 HG23 ' A' ' 45' ' ' THR . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.687 HG23 HG22 ' A' ' 44' ' ' THR . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' CA ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 1.042 HG22 HG22 ' A' ' 16' ' ' VAL . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.1 m-70 -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.69 ' HG2' HG22 ' A' ' 12' ' ' VAL . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.717 ' OD1' HG23 ' A' ' 62' ' ' VAL . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' OD1' ' A' ' 58' ' ' ASN . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 66' ' ' LEU . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.67 ' CD2' HD13 ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 11' ' ' GLN . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' ' 75' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 49' ' ' THR . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' A' ' 26' ' ' LEU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.676 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.676 ' CG2' HG22 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.723 HG22 HG22 ' A' ' 16' ' ' VAL . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-70 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.777 ' HG2' HG22 ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.505 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 58' ' ' ASN . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.905 HG22 HG22 ' A' ' 49' ' ' THR . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 71' ' ' ILE . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD11 ' N ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.905 HG22 HG22 ' A' ' 16' ' ' VAL . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.3 m-70 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.4 t-20 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.902 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.902 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.612 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.6 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.751 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 12' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.897 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.8 t-20 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 54' ' ' VAL . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.441 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.6 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 49' ' ' THR . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.848 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.603 HG21 ' O ' ' A' ' 44' ' ' THR . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.736 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.603 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 17' ' ' PRO . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.804 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.7 m-70 -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.504 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.974 ' CG ' HD13 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 75' ' ' ILE . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 49' ' ' THR . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.814 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG23 ' A' ' 52' ' ' VAL . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.702 ' CG ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 16' ' ' VAL . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-70 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.969 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.872 HG21 HD23 ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.437 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 ' H ' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 49' ' ' THR . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.883 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' C ' HG12 ' A' ' 52' ' ' VAL . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.594 HG22 HG22 ' A' ' 16' ' ' VAL . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-70 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t-20 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.591 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD23 HG21 ' A' ' 71' ' ' ILE . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 22' ' ' GLN . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' THR . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.925 HG22 HG22 ' A' ' 49' ' ' THR . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.816 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.803 HG21 ' O ' ' A' ' 44' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD21 ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.85 ' CE1' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.803 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.513 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.925 HG22 HG22 ' A' ' 16' ' ' VAL . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-70 -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.719 ' HG2' HG22 ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.831 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 54' ' ' VAL . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.866 HD23 ' CG2' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.866 ' CG2' HD23 ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.732 ' NE2' HG23 ' A' ' 75' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD11 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.577 HG12 HD11 ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 49' ' ' THR . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB3' HD12 ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 ' HG3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.472 ' H ' HG23 ' A' ' 52' ' ' VAL . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HG3' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.898 HG22 HG23 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.898 HG23 HG22 ' A' ' 44' ' ' THR . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.698 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 58' ' ' ASN . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 75' ' ' ILE . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.888 HG21 HD23 ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 75' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 44' ' ' THR . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 37' ' ' LEU . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.4 mm-40 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.748 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.748 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.817 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.909 ' NZ ' HD11 ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.882 HG21 HD23 ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.909 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.648 HD11 HG23 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' O ' HG12 ' A' ' 54' ' ' VAL . 13.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD11 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD11 HD11 ' A' ' 13' ' ' LEU . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 49' ' ' THR . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 16' ' ' VAL . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.734 ' CG2' HG21 ' A' ' 62' ' ' VAL . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 2.1 t-20 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.734 HG21 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.957 ' CG ' HD13 ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 77' ' ' ILE . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.491 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -146.38 165.74 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -179.78 149.15 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.4 mt -147.23 144.97 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' THR . 1.5 tp10 -116.66 153.26 32.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 5' ' ' GLU . 7.9 p -157.09 173.4 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 9.6 m-85 -172.38 -175.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -147.87 -177.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.719 ' H ' HG12 ' A' ' 8' ' ' VAL . . . 164.15 107.19 0.2 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -88.58 -174.99 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 13' ' ' LEU . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 49' ' ' THR . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.64 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 44' ' ' THR . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.749 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 t-20 -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 mm100 -48.73 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 2.5 mm-40 -54.31 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.5 m-70 -176.44 -56.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD13 ' OD1' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -43.19 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 49.36 62.09 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -86.98 153.67 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 44' ' ' THR . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 16' ' ' VAL . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG22 ' A' ' 12' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.839 ' OD1' HD13 ' A' ' 35' ' ' LEU . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 54' ' ' VAL . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.486 HG21 HG21 ' A' ' 54' ' ' VAL . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.749 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -93.62 -141.71 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.491 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 13.7 t0 -158.23 110.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' VAL . 3.5 p -103.91 118.74 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.535 0.207 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -179.35 131.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.216 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -122.18 106.14 10.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.004 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.12 172.14 13.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.51 176.25 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -127.29 -169.72 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -166.1 -175.3 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.617 1.198 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 9' ' ' GLY . 2.8 t -98.97 -80.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.66 ' N ' HG12 ' A' ' 8' ' ' VAL . . . 128.15 149.0 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -57.66 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.2 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD13 HD11 ' A' ' 26' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' THR . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 43' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 15' ' ' ILE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -57.76 85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -57.14 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 5.8 m80 -175.62 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.898 HD13 ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -66.62 -33.46 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 66.17 58.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.026 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.39 149.05 22.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.703 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.504 ' CG2' HG22 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 16' ' ' VAL . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.026 HG23 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.898 ' OD1' HD13 ' A' ' 35' ' ' LEU . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.898 HG21 HG21 ' A' ' 54' ' ' VAL . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.876 HG21 HD23 ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG23 ' OE1' ' A' ' 11' ' ' GLN . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.35 -144.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.41 75.53 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.47 106.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.408 0.147 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.94 153.25 20.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -89.42 -163.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 mt -136.71 173.22 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.79 150.21 31.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 53.1 p -108.92 -172.47 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 25.2 m-85 -167.56 -175.37 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.188 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.35 -150.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.786 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -147.57 152.4 24.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 5.9 m-20 -85.07 -175.02 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 13.8 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 49' ' ' THR . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 35' ' ' LEU . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLU . 6.3 mm100 -51.13 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 34' ' ' HIS . 7.6 pt-20 -38.64 -45.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 10.0 m80 -40.96 -49.77 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 29' ' ' LEU . 16.0 mt -83.64 -94.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 17.9 tt0 81.45 69.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.53 156.26 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.696 HG22 HG22 ' A' ' 16' ' ' VAL . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.9 m-70 -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.666 ' O ' HG23 ' A' ' 62' ' ' VAL . 3.4 t-20 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 54' ' ' VAL . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.879 HD23 HG21 ' A' ' 71' ' ' ILE . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.879 HG21 HD23 ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.42 -144.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -91.24 75.83 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.7 p -94.24 113.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.238 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 172.18 -175.88 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -110.98 -175.15 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 mt -109.61 142.96 39.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -116.12 129.73 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 80.9 p -105.93 169.55 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.458 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' THR . 41.5 m-85 -167.25 -175.42 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.68 162.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.63 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -76.67 -175.05 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.836 HG22 HG22 ' A' ' 49' ' ' THR . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 46' ' ' PRO . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 HD23 ' A' ' 29' ' ' LEU . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.882 ' CD1' HD13 ' A' ' 35' ' ' LEU . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 30.4 mm-40 -43.56 104.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.12 -55.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -54.3 -43.96 71.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 29' ' ' LEU . 13.2 mt -97.41 46.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.205 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.1 tm0? -68.33 64.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' HD21 ' A' ' 29' ' ' LEU . 5.0 mt -62.13 153.23 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.836 HG22 HG22 ' A' ' 16' ' ' VAL . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.5 m-70 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 1.5 pt-20 -96.94 -142.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 17.0 m-20 -87.46 74.41 9.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.46 106.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.54 0.21 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.31 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -98.55 -165.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -154.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -114.51 166.23 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -115.21 -169.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -172.76 153.45 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -74.87 -150.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -136.59 -107.74 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -61.35 -176.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 8.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' LEU . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' THR . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.954 HG22 HG22 ' A' ' 49' ' ' THR . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.804 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.0 mm100 -54.84 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -52.21 90.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 4.4 m-70 -176.44 -56.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -68.51 -57.55 5.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 66.2 56.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.765 ' CD2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -87.29 148.4 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.954 HG22 HG22 ' A' ' 16' ' ' VAL . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.8 m-70 -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.514 ' HG2' HG22 ' A' ' 12' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.765 HG22 ' CD2' ' A' ' 37' ' ' LEU . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.6 t-20 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' VAL . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.886 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.886 HG21 HD23 ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.25 -144.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 72.53 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.2 p -93.82 113.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' VAL . 1.1 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.471 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.1 144.39 36.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -92.5 -162.92 0.98 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.99 170.15 16.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -109.59 176.85 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 7' ' ' PHE . 57.6 m -157.07 171.52 20.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.377 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' H ' HG22 ' A' ' 6' ' ' THR . 1.6 p90 -175.8 153.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.07 167.93 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.45 178.6 18.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.11 -175.85 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.469 ' OE1' HG23 ' A' ' 75' ' ' ILE . 10.7 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CG1' HD11 ' A' ' 13' ' ' LEU . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 49' ' ' THR . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.711 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.463 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.687 ' CG ' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 17' ' ' PRO . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 35' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 33.7 mm-40 -49.46 103.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -54.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -54.69 -43.91 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.951 HD13 ' CD1' ' A' ' 29' ' ' LEU . 12.4 mt -94.12 45.55 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.2 tm0? -67.42 65.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 29' ' ' LEU . 3.4 mt -72.86 165.03 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 16' ' ' VAL . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.828 ' HG2' HG22 ' A' ' 12' ' ' VAL . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 22.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.469 HG23 ' OE1' ' A' ' 11' ' ' GLN . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.54 -141.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -159.51 111.22 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -51.59 105.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -143.22 177.25 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -139.95 -176.49 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.91 160.25 40.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.44 -175.44 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 p -84.4 173.37 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.86 153.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.715 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -109.21 -176.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.715 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -147.44 40.85 0.97 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 21.8 m-20 -83.86 -174.98 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.213 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' LEU . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.439 HD13 HD11 ' A' ' 26' ' ' LEU . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 HG22 ' A' ' 49' ' ' THR . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 71' ' ' ILE . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 35' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.5 mm100 -49.7 100.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.0 -38.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.684 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.89 HD21 ' ND2' ' A' ' 58' ' ' ASN . 13.4 mt -101.49 48.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -67.59 64.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -76.08 155.14 35.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.907 HG22 HG22 ' A' ' 16' ' ' VAL . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.9 m-70 -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.637 ' HG2' HG22 ' A' ' 12' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.89 ' ND2' HD21 ' A' ' 35' ' ' LEU . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG23 ' OD1' ' A' ' 58' ' ' ASN . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.914 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.914 HG21 HD23 ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 75' ' ' ILE . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -126.73 -144.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.71 72.44 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -102.25 117.48 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.5 0.191 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -170.08 70.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -163.08 177.14 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.1 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.196 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -116.09 156.93 25.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 45.5 p -119.8 175.67 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 6' ' ' THR . 27.0 m-85 -167.48 -175.4 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -141.88 -150.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.781 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -139.6 125.41 3.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.8 OUTLIER -76.59 -175.07 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.824 ' OE1' HG23 ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 49' ' ' THR . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 46' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD23 ' HG2' ' A' ' 43' ' ' PRO . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 35' ' ' LEU . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.1 mm-40 -48.87 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -44.28 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' GLN . 3.2 m80 -72.01 -44.18 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.899 HD21 ' ND2' ' A' ' 58' ' ' ASN . 12.1 mt -101.48 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -67.51 65.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -69.53 152.23 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.761 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.3 m-70 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.899 ' ND2' HD21 ' A' ' 35' ' ' LEU . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.881 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.881 HG21 HD23 ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 78' ' ' GLU . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.824 HG23 ' OE1' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' HG21 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -144.1 -143.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -90.35 75.45 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.5 p -90.22 111.98 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.544 0.211 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.87 130.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.76 176.96 9.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp -127.8 165.58 19.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.42 153.33 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 58.7 p -125.95 171.19 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 14.6 m-85 -167.49 -175.37 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 9' ' ' GLY . 2.8 t -107.68 -80.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.653 ' N ' HG12 ' A' ' 8' ' ' VAL . . . 135.41 -118.24 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -56.31 -175.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 49' ' ' THR . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 49' ' ' THR . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.045 ' CD1' HD13 ' A' ' 35' ' ' LEU . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LEU . 11.7 mm-40 -46.79 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 2.3 mp0 -38.25 -57.82 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -54.65 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.581 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD13 ' CD1' ' A' ' 29' ' ' LEU . 12.6 mt -93.02 45.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 15.0 mt-30 -67.67 65.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt -71.28 165.27 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.968 HG22 HG22 ' A' ' 16' ' ' VAL . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.2 m-70 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 71' ' ' ILE . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -127.68 -144.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.573 ' HA ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -85.32 73.73 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.1 106.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.503 0.192 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.38 170.42 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -164.5 109.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -128.76 158.28 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.28 157.29 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 p -140.34 154.07 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -167.46 -175.41 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -118.29 -179.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.68 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -138.51 27.42 2.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 9.4 m-20 -85.72 -176.82 6.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 0.735 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 49' ' ' THR . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 71' ' ' ILE . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 HD11 ' CA ' ' A' ' 46' ' ' PRO . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.753 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.9 t-20 -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 35' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 66.0 mm-40 -55.38 99.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 18.8 mm-40 -38.49 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -41.22 -42.72 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.964 HD21 ' ND2' ' A' ' 58' ' ' ASN . 17.2 mt -100.73 48.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.1 mt-30 -67.93 64.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 149.5 35.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.687 HG22 HG23 ' A' ' 45' ' ' THR . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.687 HG23 HG22 ' A' ' 44' ' ' THR . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' CA ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.042 HG22 HG22 ' A' ' 16' ' ' VAL . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.1 m-70 -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.69 ' HG2' HG22 ' A' ' 12' ' ' VAL . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.964 ' ND2' HD21 ' A' ' 35' ' ' LEU . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' OD1' ' A' ' 58' ' ' ASN . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.753 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 66' ' ' LEU . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.67 ' CD2' HD13 ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 11' ' ' GLN . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -97.8 -142.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 14.0 t0 -162.01 112.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.4 p -86.41 107.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.513 0.196 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -107.93 138.15 44.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -69.75 136.16 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.75 167.61 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 3.6 tt0 -93.75 133.91 36.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.0 p -102.74 157.9 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 5' ' ' GLU . 8.4 m-85 -167.26 -175.35 2.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -136.74 -59.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.67 74.53 1.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -56.09 177.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' ' 75' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 49' ' ' THR . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 35' ' ' LEU . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 50.3 mm-40 -51.44 102.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.1 tt0 -37.76 -60.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -41.3 -42.72 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 29' ' ' LEU . 15.3 mt -99.88 47.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -67.48 64.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -79.53 164.61 23.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' A' ' 26' ' ' LEU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.676 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.676 ' CG2' HG22 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.723 HG22 HG22 ' A' ' 16' ' ' VAL . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-70 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.777 ' HG2' HG22 ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.505 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.841 ' ND2' HD21 ' A' ' 35' ' ' LEU . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 58' ' ' ASN . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.45 -144.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.03 73.18 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.41 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.552 0.215 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.57 144.95 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 161.77 26.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.44 166.35 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.0 136.09 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -125.83 168.72 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.7 -150.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.773 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -131.11 81.36 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.593 1.183 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -92.12 173.16 7.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.905 HG22 HG22 ' A' ' 49' ' ' THR . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 71' ' ' ILE . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD11 ' N ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 35' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 18.2 mm100 -56.45 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' GLN . 14.7 tt0 -38.13 -57.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -41.08 -42.97 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 29' ' ' LEU . 24.8 mt -100.2 48.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.77 65.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -76.97 148.85 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.905 HG22 HG22 ' A' ' 16' ' ' VAL . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 3.3 m-70 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.4 t-20 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.902 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.902 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.612 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.7 -143.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 73.89 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.47 106.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.462 0.172 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -176.8 152.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 5' ' ' GLU . 46.9 tp -149.21 162.58 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 6' ' ' THR . 25.0 tt0 -116.07 107.65 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 5' ' ' GLU . 13.6 p -153.56 161.82 41.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.82 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.38 165.97 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.06 73.92 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -92.76 179.38 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 7.6 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.902 HD11 HD13 ' A' ' 35' ' ' LEU . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' LEU . 67.8 mm-40 -55.32 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 14.5 mm-40 -38.91 -31.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 7.1 t60 -59.69 -49.22 78.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.902 HD13 HD11 ' A' ' 29' ' ' LEU . 12.9 mt -103.54 51.07 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.36 64.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.751 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -72.38 165.42 24.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 12' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.897 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.8 t-20 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 54' ' ' VAL . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -124.27 -144.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.19 77.43 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.223 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -42.7 106.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.42 0.152 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -179.64 97.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -178.83 141.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -141.8 162.91 34.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.69 162.6 17.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 76.2 p -134.27 159.23 41.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 6' ' ' THR . 30.4 m-85 -167.1 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.23 161.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.69 174.55 17.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.21 -175.81 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 5.6 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 49' ' ' THR . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.848 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.603 HG21 ' O ' ' A' ' 44' ' ' THR . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 35' ' ' LEU . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 12.1 mm100 -51.57 101.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -38.0 -60.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -41.03 -42.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 29' ' ' LEU . 19.5 mt -100.42 48.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.43 65.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -74.66 165.5 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.736 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.603 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 17' ' ' PRO . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.804 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 2.7 m-70 -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.504 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.848 HD12 ' HB3' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.974 ' CG ' HD13 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 75' ' ' ILE . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -94.33 -141.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 3.3 m-20 -88.68 74.85 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.37 106.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.526 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -83.51 96.72 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -44.99 124.95 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 5' ' ' GLU . 6.7 tt -43.64 162.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.0 tt0 -116.72 158.08 24.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' CD2' ' A' ' 7' ' ' PHE . 23.0 p -100.22 166.87 10.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' CD2' ' C ' ' A' ' 6' ' ' THR . 1.6 p90 -175.8 153.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.7 p -90.94 -150.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.791 ' N ' HG13 ' A' ' 8' ' ' VAL . . . 129.29 142.86 5.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 2.2 m-20 -76.09 -176.85 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 49' ' ' THR . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.814 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.021 HD11 HD12 ' A' ' 35' ' ' LEU . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' HIS . 23.1 mm-40 -60.61 81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.4 mt-10 -51.46 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.9 m-70 -175.69 -57.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.021 HD12 HD11 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.54 -39.22 92.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 54.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -86.55 148.17 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG23 ' A' ' 52' ' ' VAL . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.702 ' CG ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 16' ' ' VAL . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-70 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.969 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.872 HG21 HD23 ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.437 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.03 -144.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 77.24 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.63 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.255 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.435 0.16 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 179.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -150.54 -177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.29 152.57 45.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.93 151.6 36.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -96.42 165.97 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.439 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.03 153.94 1.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.1 t -131.79 172.24 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -148.31 93.35 0.15 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.33 159.69 15.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 ' H ' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 49' ' ' THR . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.883 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' HIS . 36.8 mm-40 -67.38 68.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 7.7 pt-20 -49.35 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 91.8 m-70 -160.5 -44.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.683 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.106 HD22 HD22 ' A' ' 58' ' ' ASN . 90.1 mt -69.21 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.598 1.186 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 157.22 47.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp -94.38 164.04 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' C ' HG12 ' A' ' 52' ' ' VAL . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.594 HG22 HG22 ' A' ' 16' ' ' VAL . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-70 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 1.106 HD22 HD22 ' A' ' 35' ' ' LEU . 5.4 t-20 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.591 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD23 HG21 ' A' ' 71' ' ' ILE . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 22' ' ' GLN . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.91 -144.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.04 73.59 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.77 106.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.245 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.482 0.182 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.87 141.77 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -142.74 123.34 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -159.92 147.59 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -106.05 147.38 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 p -90.23 162.21 15.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 2.9 t80 -157.97 -171.8 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 7' ' ' PHE . 2.1 t -148.34 160.31 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.28 113.31 1.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -55.89 170.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' THR . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.925 HG22 HG22 ' A' ' 49' ' ' THR . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.816 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.803 HG21 ' O ' ' A' ' 44' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD21 ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 35' ' ' LEU . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -38.76 105.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.71 82.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -174.57 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD11 ' A' ' 29' ' ' LEU . 12.1 mt -95.86 -65.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 57.63 54.52 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -77.74 161.4 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.85 ' CE1' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.803 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.513 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.925 HG22 HG22 ' A' ' 16' ' ' VAL . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' O ' ' ND1' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-70 -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.719 ' HG2' HG22 ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.831 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.813 ' CG ' HD21 ' A' ' 35' ' ' LEU . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 54' ' ' VAL . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.866 HD23 ' CG2' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.866 ' CG2' HD23 ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.38 -141.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.99 74.32 9.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.6 p -91.63 112.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.45 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -82.98 164.93 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -103.14 -178.98 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -61.15 172.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.677 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.0 tt0 -116.78 176.05 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -54.32 -169.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -130.39 -170.8 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -96.55 -150.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -161.48 -174.02 30.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -71.84 -176.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.732 ' NE2' HG23 ' A' ' 75' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD11 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.577 HG12 HD11 ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 49' ' ' THR . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB3' HD12 ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 ' HG3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 35' ' ' LEU . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 5.7 mm-40 -37.54 114.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -68.08 62.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 28.4 p80 -176.29 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.646 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' OD1' ' A' ' 58' ' ' ASN . 12.1 mt -100.62 42.67 1.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.1 tm0? -67.42 65.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -71.53 166.81 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.472 ' H ' HG23 ' A' ' 52' ' ' VAL . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HG3' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.898 HG22 HG23 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.898 HG23 HG22 ' A' ' 44' ' ' THR . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.76 ' OD1' HD21 ' A' ' 35' ' ' LEU . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 58' ' ' ASN . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 75' ' ' ILE . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.888 HG21 HD23 ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.13 -142.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.87 51.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.3 p -103.21 115.96 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -101.58 163.24 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -98.68 170.48 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 171.96 7.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.57 159.64 15.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 p -101.11 -169.45 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.18 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -146.28 -171.5 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -106.02 -150.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.779 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -162.64 -179.79 37.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -72.91 -176.82 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 75' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 44' ' ' THR . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 35' ' ' LEU . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 13.4 mm-40 -36.58 114.29 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.19 62.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 29.2 p80 -176.17 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD21 ' OD1' ' A' ' 58' ' ' ASN . 11.5 mt -99.85 44.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.3 tm0? -67.55 65.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -69.93 165.05 22.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.748 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.748 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.817 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.909 ' NZ ' HD11 ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.882 HG21 HD23 ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.909 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.648 HD11 HG23 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.96 -142.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -143.87 51.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.7 p -97.84 113.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.578 0.227 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -23.52 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -141.15 118.32 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -129.08 -173.95 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.368 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.28 146.73 33.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -44.57 168.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.577 1.173 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -157.47 -171.71 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.7 p -122.21 -150.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -103.84 173.71 21.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.64 179.95 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' O ' HG12 ' A' ' 54' ' ' VAL . 13.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD11 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD11 HD11 ' A' ' 13' ' ' LEU . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 49' ' ' THR . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.758 ' CD1' HD12 ' A' ' 35' ' ' LEU . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' LEU . 5.9 mm-40 -54.49 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.0 tt0 -38.73 -46.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLU . 14.1 m80 -39.92 -42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 29' ' ' LEU . 12.7 mt -88.08 -73.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.07 57.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -80.25 163.77 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 16' ' ' VAL . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.734 ' CG2' HG21 ' A' ' 62' ' ' VAL . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 2.1 t-20 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.734 HG21 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.957 ' CG ' HD13 ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 77' ' ' ILE . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.09 -144.33 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.42 63.18 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -74.11 106.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 13' ' ' LEU . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 49' ' ' THR . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.64 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 44' ' ' THR . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 44' ' ' THR . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 16' ' ' VAL . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG22 ' A' ' 12' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 54' ' ' VAL . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.486 HG21 HG21 ' A' ' 54' ' ' VAL . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' NE2' HG23 ' A' ' 75' ' ' ILE . 5.8 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD13 HD11 ' A' ' 26' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' THR . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 43' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 15' ' ' ILE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.026 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.703 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.504 ' CG2' HG22 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 16' ' ' VAL . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.026 HG23 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.676 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.898 HG21 HG21 ' A' ' 54' ' ' VAL . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.876 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.876 HG21 HD23 ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.566 HG23 ' NE2' ' A' ' 11' ' ' GLN . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 5.9 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 9.0 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 49' ' ' THR . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.696 HG22 HG22 ' A' ' 16' ' ' VAL . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.666 ' O ' HG23 ' A' ' 62' ' ' VAL . 50.7 t30 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 54' ' ' VAL . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.879 HD23 HG21 ' A' ' 71' ' ' ILE . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.879 HG21 HD23 ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.836 HG22 HG22 ' A' ' 49' ' ' THR . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 46' ' ' PRO . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 HD23 ' A' ' 29' ' ' LEU . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 37' ' ' LEU . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' HD21 ' A' ' 29' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.836 HG22 HG22 ' A' ' 16' ' ' VAL . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.563 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.4 m80 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' LEU . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' THR . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.954 HG22 HG22 ' A' ' 49' ' ' THR . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.804 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.765 ' CD2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.954 HG22 HG22 ' A' ' 16' ' ' VAL . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.514 ' HG2' HG22 ' A' ' 12' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.765 HG22 ' CD2' ' A' ' 37' ' ' LEU . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 62' ' ' VAL . 61.9 t30 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' VAL . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.886 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.886 HG21 HD23 ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.619 ' NE2' HG23 ' A' ' 75' ' ' ILE . 6.3 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CG1' HD11 ' A' ' 13' ' ' LEU . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 49' ' ' THR . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.711 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.463 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.687 ' CG ' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 17' ' ' PRO . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.806 ' HG ' HD12 ' A' ' 37' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 29' ' ' LEU . 3.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 16' ' ' VAL . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.828 ' HG2' HG22 ' A' ' 12' ' ' VAL . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 9.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.619 HG23 ' NE2' ' A' ' 11' ' ' GLN . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 21.8 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' LEU . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.439 HD13 HD11 ' A' ' 26' ' ' LEU . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 HG22 ' A' ' 49' ' ' THR . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 71' ' ' ILE . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.649 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.7 t30 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 37' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.907 HG22 HG22 ' A' ' 16' ' ' VAL . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.637 ' HG2' HG22 ' A' ' 12' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 62' ' ' VAL . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG23 ' OD1' ' A' ' 58' ' ' ASN . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.649 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.914 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.914 HG21 HD23 ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 75' ' ' ILE . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.824 ' OE1' HG23 ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 49' ' ' THR . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 46' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.761 HD23 ' HG2' ' A' ' 43' ' ' PRO . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.1 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.761 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.734 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.881 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.881 HG21 HD23 ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 78' ' ' GLU . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.824 HG23 ' OE1' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' HG21 ' A' ' 75' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 49' ' ' THR . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 49' ' ' THR . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 13.7 m-80 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HD12 ' A' ' 37' ' ' LEU . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.968 HG22 HG22 ' A' ' 16' ' ' VAL . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 71' ' ' ILE . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 9.4 m-20 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 49' ' ' THR . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 71' ' ' ILE . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.408 HD11 ' CA ' ' A' ' 46' ' ' PRO . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.685 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.687 HG22 HG23 ' A' ' 45' ' ' THR . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.687 HG23 HG22 ' A' ' 44' ' ' THR . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' CA ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 1.042 HG22 HG22 ' A' ' 16' ' ' VAL . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.69 ' HG2' HG22 ' A' ' 12' ' ' VAL . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.717 ' OD1' HG23 ' A' ' 62' ' ' VAL . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' OD1' ' A' ' 58' ' ' ASN . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 66' ' ' LEU . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.67 ' CD2' HD13 ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 11' ' ' GLN . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' ' 75' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 49' ' ' THR . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' A' ' 26' ' ' LEU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.676 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.676 ' CG2' HG22 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.723 HG22 HG22 ' A' ' 16' ' ' VAL . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.777 ' HG2' HG22 ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.729 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.505 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.591 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 58' ' ' ASN . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.905 HG22 HG22 ' A' ' 49' ' ' THR . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 71' ' ' ILE . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD11 ' N ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 37' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.905 HG22 HG22 ' A' ' 16' ' ' VAL . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 62' ' ' VAL . 16.1 t30 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.902 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.902 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.612 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.8 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.751 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 12' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.897 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.0 t30 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 54' ' ' VAL . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.441 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.2 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.808 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 49' ' ' THR . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.848 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.603 HG21 ' O ' ' A' ' 44' ' ' THR . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.736 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.603 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 17' ' ' PRO . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.804 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.504 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.856 HE21 HD13 ' A' ' 71' ' ' ILE . 1.1 pt20 -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.856 HD13 HE21 ' A' ' 69' ' ' GLN . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.974 ' CG ' HD13 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 75' ' ' ILE . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 49' ' ' THR . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.814 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 69' ' ' GLN . 3.4 m120 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG23 ' A' ' 52' ' ' VAL . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.702 ' CG ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 16' ' ' VAL . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.2 m80 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.969 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.872 HG21 HD23 ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.437 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 ' H ' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 49' ' ' THR . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.883 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.408 ' C ' HG12 ' A' ' 52' ' ' VAL . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.594 HG22 HG22 ' A' ' 16' ' ' VAL . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.5 m80 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.4 t30 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.591 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD23 HG21 ' A' ' 71' ' ' ILE . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 22' ' ' GLN . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' THR . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.925 HG22 HG22 ' A' ' 49' ' ' THR . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.816 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.803 HG21 ' O ' ' A' ' 44' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.85 HD21 ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.85 ' CE1' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.803 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.513 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.925 HG22 HG22 ' A' ' 16' ' ' VAL . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.719 ' HG2' HG22 ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.831 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 54' ' ' VAL . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.866 HD23 ' CG2' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.866 ' CG2' HD23 ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.732 ' NE2' HG23 ' A' ' 75' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD11 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.577 HG12 HD11 ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 49' ' ' THR . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB3' HD12 ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.7 m-20 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 ' HG3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.472 ' H ' HG23 ' A' ' 52' ' ' VAL . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HG3' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.898 HG22 HG23 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.898 HG23 HG22 ' A' ' 44' ' ' THR . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 41' ' ' LYS . 1.9 m80 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.698 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 58' ' ' ASN . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 75' ' ' ILE . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.888 HG21 HD23 ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 75' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 44' ' ' THR . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.8 m-20 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 37' ' ' LEU . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.4 mm-40 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.748 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.748 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.817 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.909 ' NZ ' HD11 ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.882 HG21 HD23 ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.909 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.648 HD11 HG23 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' O ' HG12 ' A' ' 54' ' ' VAL . 11.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD11 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD11 HD11 ' A' ' 13' ' ' LEU . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 49' ' ' THR . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 16' ' ' VAL . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.734 ' CG2' HG21 ' A' ' 62' ' ' VAL . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 4.0 t30 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.734 HG21 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.957 ' CG ' HD13 ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 77' ' ' ILE . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.491 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -146.38 165.74 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -179.78 149.15 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.4 mt -147.23 144.97 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' THR . 1.5 tp10 -116.66 153.26 32.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 5' ' ' GLU . 7.9 p -157.09 173.4 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 9.6 m-85 -172.38 -175.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -147.87 -177.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.719 ' H ' HG12 ' A' ' 8' ' ' VAL . . . 164.15 107.19 0.2 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -88.58 -174.99 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.4 tt0 -172.2 131.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -88.22 167.93 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -157.86 146.74 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.318 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -98.61 123.76 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG1' HD11 ' A' ' 13' ' ' LEU . 7.6 mt -115.17 141.41 32.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 49' ' ' THR . 20.3 t -124.27 91.88 48.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 t -174.05 -39.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -102.26 164.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -39.43 66.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.5 -40.86 83.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.64 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -68.11 -29.97 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD13 ' O ' ' A' ' 44' ' ' THR . 5.2 mt -77.59 -34.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -74.18 -17.37 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.613 HD22 ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -68.18 -60.01 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.067 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 5.8 tp -49.09 -61.14 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 10.0 mt -42.36 -51.72 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -38.93 69.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.6 tp -66.01 -61.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.55 -23.57 51.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -65.97 -43.35 88.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 mm100 -48.73 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.281 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 2.5 mm-40 -54.31 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.5 m-70 -176.44 -56.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD13 ' OD1' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -43.19 63.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 49.36 62.09 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -86.98 153.67 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.1 131.89 56.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.9 m-85 -92.11 127.38 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.8 m0 -72.89 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.012 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -99.51 107.55 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LYS . 81.1 p -38.91 99.25 0.19 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.0 2.98 6.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -36.13 -44.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 HG22 ' A' ' 44' ' ' THR . 27.3 p -118.68 156.62 51.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.83 21.76 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.26 -24.15 15.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.6 pt-20 -105.88 108.39 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 0.803 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 16' ' ' VAL . 44.3 p -58.28 149.23 24.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -111.6 149.3 31.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m80 -143.09 90.92 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.572 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.79 145.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' HG2' HG22 ' A' ' 12' ' ' VAL . 53.2 mtm180 -82.75 87.78 6.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 8.5 p -81.59 141.15 48.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.02 135.73 19.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.8 t80 -49.61 -38.65 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.38 -20.52 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.839 ' OD1' HD13 ' A' ' 35' ' ' LEU . 6.6 t-20 -116.78 11.37 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 54' ' ' VAL . 2.1 t -76.19 -33.79 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -72.05 -63.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.13 -31.51 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.486 HG21 HG21 ' A' ' 54' ' ' VAL . 3.3 t -77.58 -43.95 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -58.7 -32.64 69.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.1 -35.01 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.228 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 5.2 t80 -63.68 -56.64 14.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -45.46 -56.47 5.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -46.7 80.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -54.14 -45.05 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -78.57 5.32 11.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.23 50.18 56.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -109.28 178.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.779 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.88 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -128.2 -169.86 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -161.55 161.09 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.9 mp -99.58 109.62 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -69.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.5 tp -130.65 137.48 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -93.62 -141.71 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.491 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 13.7 t0 -158.23 110.66 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' VAL . 3.5 p -103.91 118.74 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.535 0.207 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -179.35 131.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.216 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -122.18 106.14 10.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.004 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.12 172.14 13.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.51 176.25 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 p -127.29 -169.72 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -166.1 -175.3 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.617 1.198 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG12 ' N ' ' A' ' 9' ' ' GLY . 2.8 t -98.97 -80.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.359 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.66 ' N ' HG12 ' A' ' 8' ' ' VAL . . . 128.15 149.0 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -57.66 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' NE2' HG23 ' A' ' 75' ' ' ILE . 5.8 tt0 -165.15 139.36 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -97.83 167.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -156.39 145.58 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.32 122.77 41.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD13 HD11 ' A' ' 26' ' ' LEU . 14.8 mt -111.46 147.21 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' THR . 6.6 t -127.73 93.53 39.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 -177.7 3.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.584 1.834 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 t -152.89 -45.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.86 -165.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -98.06 -31.24 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.16 -50.37 73.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.4 mt-30 -60.81 -40.44 92.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 43' ' ' PRO . 28.4 mt -70.62 -41.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -64.76 -16.0 62.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.9 t-20 -71.2 -41.01 70.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.388 1.055 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 15' ' ' ILE . 11.4 mt -65.14 -43.72 90.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -56.02 17.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -36.88 63.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.7 tp -67.95 -63.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tm-20 -54.48 -21.12 9.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -69.26 -37.38 77.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -57.76 85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.541 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -57.14 94.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 33' ' ' GLU . 20.4 m-70 -175.62 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.898 HD13 ' OD1' ' A' ' 58' ' ' ASN . 0.6 OUTLIER -66.62 -33.46 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 66.17 58.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.026 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.39 149.05 22.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.276 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -137.92 125.56 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 30.8 m-85 -87.05 133.16 33.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' HE1' ' NE ' ' A' ' 53' ' ' ARG . 34.8 m0 -78.76 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 107.98 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -88.99 107.73 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -41.47 101.2 0.24 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.703 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 1.93 7.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.551 1.817 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.504 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -38.81 -60.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.457 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.504 ' CG2' HG22 ' A' ' 44' ' ' THR . 12.0 p -100.2 157.22 34.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 12.42 35.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -137.24 128.14 27.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 16' ' ' VAL . 23.5 p -78.92 156.42 28.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.63 155.77 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -147.98 94.1 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -109.51 143.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.633 1.208 . . . . 0.0 109.368 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' NE ' ' HE1' ' A' ' 40' ' ' TRP . 5.8 mtm180 -89.0 83.26 6.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.026 HG23 HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -84.55 146.13 46.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.98 136.45 20.45 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.5 t80 -49.39 -39.96 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -65.77 -19.37 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.898 ' OD1' HD13 ' A' ' 35' ' ' LEU . 6.9 t-20 -118.48 11.94 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.26 -34.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -67.41 -66.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.94 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.356 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.898 HG21 HG21 ' A' ' 54' ' ' VAL . 55.0 t -72.7 -44.82 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLN . 12.9 tttt -56.72 -36.1 69.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 t -73.1 -34.68 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 16.8 t80 -62.51 -54.21 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.146 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.876 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -48.6 -56.83 7.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.68 -44.39 77.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -55.54 -42.84 75.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.7 pt20 -82.26 12.19 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.94 52.39 16.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.876 HG21 HD23 ' A' ' 66' ' ' LEU . 5.5 tt -111.28 176.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.68 121.66 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -131.39 -169.37 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.44 165.88 21.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.566 HG23 ' NE2' ' A' ' 11' ' ' GLN . 9.6 mt -99.31 129.11 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.06 -67.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.0 tp -117.05 143.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.35 -144.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.41 75.53 6.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.47 106.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.408 0.147 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -160.94 153.25 20.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.153 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -89.42 -163.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.027 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 mt -136.71 173.22 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -112.79 150.21 31.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 53.1 p -108.92 -172.47 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 6' ' ' THR . 25.2 m-85 -167.56 -175.37 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.188 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.35 -150.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.786 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -147.57 152.4 24.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 5.9 m-20 -85.07 -175.02 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 9.0 tt0 -171.0 136.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.212 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.8 OUTLIER -94.77 167.41 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -157.0 144.8 19.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.17 125.92 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.438 ' CG1' HD11 ' A' ' 13' ' ' LEU . 5.4 mt -116.18 144.92 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG22 HG22 ' A' ' 49' ' ' THR . 42.1 t -127.89 94.18 37.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.91 -174.55 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 t 179.15 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -103.52 152.03 22.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -38.01 86.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.4 -45.26 94.21 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.818 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.8 mp0 -65.13 -40.72 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.542 HD11 ' N ' ' A' ' 46' ' ' PRO . 12.5 mt -71.87 -36.98 60.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.17 -16.86 64.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -73.27 -56.89 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -50.07 -61.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.44 -51.78 4.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.74 -38.13 71.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 35' ' ' LEU . 15.3 tp -66.24 -63.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.3 tm-20 -52.57 -23.77 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -65.46 -42.7 92.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLU . 6.3 mm100 -51.13 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 34' ' ' HIS . 7.6 pt-20 -38.64 -45.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 28.2 m-70 -40.96 -49.77 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 29' ' ' LEU . 16.0 mt -83.64 -94.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 17.9 tt0 81.45 69.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.53 156.26 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.7 117.58 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.2 m-85 -91.97 125.84 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.0 m0 -70.56 -64.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -94.4 103.95 15.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 p -40.12 100.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -75.01 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.7 p -129.37 154.78 80.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.447 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.01 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.09 -39.61 3.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.66 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.696 HG22 HG22 ' A' ' 16' ' ' VAL . 35.9 p -53.51 155.78 2.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.15 153.51 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -147.99 92.84 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.548 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.98 144.26 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 1.3 ptt180 -85.25 83.9 7.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.8 p -80.42 143.02 54.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.02 126.86 10.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 5.9 t80 -38.35 -31.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -66.33 -50.7 65.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.666 ' O ' HG23 ' A' ' 62' ' ' VAL . 50.7 t30 -79.58 -25.08 41.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 54' ' ' VAL . 2.7 t -39.94 -44.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -62.2 -70.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.07 -31.39 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 58' ' ' ASN . 94.9 t -76.79 -40.7 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -61.37 -33.36 73.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.239 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.28 -33.69 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 21.7 t80 -64.12 -56.59 13.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.879 HD23 HG21 ' A' ' 71' ' ' ILE . 1.5 mt -45.89 -55.84 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.94 -46.06 82.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 p -54.54 -42.54 71.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.5 pt20 -82.3 12.2 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.1 53.62 8.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.879 HG21 HD23 ' A' ' 66' ' ' LEU . 6.1 tt -110.67 175.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.07 119.9 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.55 -168.93 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.44 167.82 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.7 mp -99.33 132.45 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 tpt -96.24 -53.82 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.1 tp -134.65 139.28 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -137.42 -144.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -91.24 75.83 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.7 p -94.24 113.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.238 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 172.18 -175.88 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -110.98 -175.15 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 mt -109.61 142.96 39.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -116.12 129.73 56.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 80.9 p -105.93 169.55 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.458 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' THR . 41.5 m-85 -167.25 -175.42 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.68 162.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.5 52.63 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.594 1.184 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -76.67 -175.05 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 17.4 tt0 -170.2 130.07 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -88.05 169.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -156.52 146.02 20.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 3.9 mt-10 -98.36 120.36 38.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 28.7 mt -110.61 143.59 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.836 HG22 HG22 ' A' ' 49' ' ' THR . 61.5 t -131.79 96.07 21.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.397 1.06 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.53 4.23 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 t -152.33 -45.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.8 -174.61 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' LYS . 4.6 mt-10 -89.48 -17.48 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.364 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -64.72 -62.98 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -61.73 -27.34 68.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 46' ' ' PRO . 13.3 mt -77.84 -40.38 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -69.24 -18.03 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.81 -36.53 56.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 HD23 ' A' ' 29' ' ' LEU . 12.2 mt -66.3 -43.93 84.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -53.27 -57.15 11.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -36.84 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.882 ' CD1' HD13 ' A' ' 35' ' ' LEU . 17.1 tp -67.23 -62.99 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 39' ' ' PHE . 4.3 tt0 -54.21 -29.24 45.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.351 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.06 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 30.4 mm-40 -43.56 104.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.12 -55.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -54.3 -43.96 71.54 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 29' ' ' LEU . 13.2 mt -97.41 46.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.205 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.1 tm0? -68.33 64.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' HD21 ' A' ' 29' ' ' LEU . 5.0 mt -62.13 153.23 30.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.1 m-20 -114.61 115.18 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' OE2' ' A' ' 30' ' ' GLU . 16.8 m-85 -91.38 130.2 37.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.1 m0 -75.35 -42.97 52.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.072 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -120.81 108.74 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 p -40.4 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.3 Cg_endo -75.02 0.77 8.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.772 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -40.19 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.444 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 11.5 p -107.63 151.27 40.99 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.448 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.02 -166.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.07 30.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' CD ' ' HA ' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -135.7 124.88 24.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.836 HG22 HG22 ' A' ' 16' ' ' VAL . 2.2 p -76.13 141.12 42.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.7 154.56 29.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.4 m80 -147.75 95.23 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -108.32 144.05 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -87.61 82.42 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 55' ' ' PRO . 72.1 t -82.94 143.62 46.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 135.21 18.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 9.2 t80 -48.78 -39.08 23.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.32 -20.48 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 62' ' ' VAL . 12.3 t-20 -118.01 12.83 13.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.76 -29.99 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.611 1.195 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' LYS . 4.8 tp60 -70.52 -65.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.14 -35.98 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 58' ' ' ASN . 72.8 t -72.76 -43.98 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' GLN . 11.0 mttp -57.28 -34.05 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 t -75.8 -35.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.3 t80 -62.3 -56.04 22.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -46.92 -57.39 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.27 -44.7 75.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -55.57 -43.54 76.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.4 pt20 -81.44 10.1 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.55 51.94 30.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 66' ' ' LEU . 5.7 tt -112.07 176.1 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.93 121.37 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -126.76 -169.7 2.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 110.914 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -160.1 164.12 33.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 75' ' ' ILE . 2.6 mp -99.21 107.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 ttt -69.94 -69.99 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 6.7 tp -128.31 137.35 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 1.5 pt-20 -96.94 -142.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 17.0 m-20 -87.46 74.41 9.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -40.46 106.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.54 0.21 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.31 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -98.55 -165.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -154.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -114.51 166.23 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.2 p -115.21 -169.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -172.76 153.45 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -74.87 -150.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -136.59 -107.74 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -61.35 -176.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.13 138.09 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -93.66 167.13 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -160.46 154.36 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 13' ' ' LEU . 22.4 tt0 -97.47 147.02 24.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' THR . 12.7 mt -137.03 138.63 45.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.954 HG22 HG22 ' A' ' 49' ' ' THR . 53.3 t -130.9 92.56 33.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.0 t -151.18 -45.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -107.23 -174.71 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -84.24 -44.11 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -47.92 -53.55 15.54 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.804 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -53.2 -43.85 67.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 43' ' ' PRO . 33.6 mt -69.0 -41.49 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -63.92 -14.98 57.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.6 t-20 -71.92 -58.27 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 39' ' ' PHE . 6.2 tp -47.39 -61.43 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -41.66 -53.7 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.08 -38.8 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 13.2 tp -67.56 -63.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.4 -21.34 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -68.15 -39.03 82.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.0 mm100 -54.84 94.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -52.21 90.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 4.4 m-70 -176.44 -56.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.792 HD13 ' ND2' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -68.51 -57.55 5.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 66.2 56.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.765 ' CD2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -87.29 148.4 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.47 124.88 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 20.0 m-30 -84.62 123.44 30.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 44.7 m0 -73.14 -45.38 57.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' SER . 4.9 mtpt -116.08 99.7 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LYS . 98.0 p -38.75 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -38.42 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.4 p -124.26 155.27 68.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -169.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.48 19.81 6.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.63 120.71 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 110.221 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.954 HG22 HG22 ' A' ' 16' ' ' VAL . 7.2 p -75.74 144.32 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.86 153.74 30.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -150.65 96.95 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -114.23 146.95 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.388 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.514 ' HG2' HG22 ' A' ' 12' ' ' VAL . 21.1 mtm180 -83.33 86.0 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.765 HG22 ' CD2' ' A' ' 37' ' ' LEU . 69.3 t -81.93 143.8 50.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.06 135.19 18.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.47 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.3 t80 -48.63 -38.4 20.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.13 -20.72 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 62' ' ' VAL . 61.9 t30 -107.58 -19.1 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.27 -49.8 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -59.7 -69.32 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.67 -31.41 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 58' ' ' ASN . 74.4 t -76.33 -42.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' VAL . 2.8 mttp -59.22 -32.9 70.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.0 t -78.17 -32.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.387 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 23.9 t80 -65.76 -56.29 12.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.886 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -46.57 -55.22 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.82 -46.91 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.74 -43.75 69.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.9 pt20 -80.69 9.05 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.75 52.83 23.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.886 HG21 HD23 ' A' ' 66' ' ' LEU . 3.8 tt -111.51 178.2 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.24 122.27 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -129.49 -169.38 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.94 161.61 28.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -99.18 119.06 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.223 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -68.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.3 tp -119.43 158.48 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -139.25 -144.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 72.53 8.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.2 p -93.82 113.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' VAL . 1.1 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.471 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.1 144.39 36.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -92.5 -162.92 0.98 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.99 170.15 16.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -109.59 176.85 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 7' ' ' PHE . 57.6 m -157.07 171.52 20.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.377 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' H ' HG22 ' A' ' 6' ' ' THR . 1.6 p90 -175.8 153.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.07 167.93 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.45 178.6 18.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.11 -175.85 4.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.619 ' NE2' HG23 ' A' ' 75' ' ' ILE . 6.3 tt0 -171.48 129.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -87.16 168.67 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.51 145.6 21.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.9 mt-10 -98.55 121.17 40.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CG1' HD11 ' A' ' 13' ' ' LEU . 19.4 mt -111.21 142.14 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 HG22 ' A' ' 49' ' ' THR . 39.9 t -130.84 89.86 41.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.711 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -74.9 -176.39 2.83 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.463 ' CA ' ' HB3' ' A' ' 46' ' ' PRO . 13.8 t -162.17 -42.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -108.29 147.33 31.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ILE . 1.1 mp0 -48.41 -47.27 37.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.88 -49.97 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.687 ' CG ' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -57.35 -40.7 78.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.592 1.182 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 17' ' ' PRO . 2.4 mp -71.7 -45.84 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.2 -18.41 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -80.86 -39.28 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.7 mt -70.61 -43.39 69.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.373 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.03 -52.89 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.37 -35.22 67.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 35' ' ' LEU . 16.1 tp -66.33 -63.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.1 tt0 -50.18 -27.71 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -62.89 -45.81 90.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.403 1.064 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' LEU . 33.7 mm-40 -49.46 103.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -38.52 -54.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -54.69 -43.91 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.548 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.951 HD13 ' CD1' ' A' ' 29' ' ' LEU . 12.4 mt -94.12 45.55 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.2 tm0? -67.42 65.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.806 HD12 ' HG ' ' A' ' 29' ' ' LEU . 3.4 mt -72.86 165.03 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.87 112.47 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 11.6 m-85 -88.53 120.67 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 53' ' ' ARG . 53.9 m0 -55.97 -48.57 75.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' SER . 26.8 mtpt -105.59 99.9 9.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' LYS . 99.9 p -37.77 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 53.82 3.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -75.45 -30.54 60.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.6 p -137.21 163.15 51.09 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.04 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.62 -46.02 3.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.04 102.98 15.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 16' ' ' VAL . 38.4 p -56.53 153.37 10.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 110.465 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.53 159.18 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.3 m80 -149.42 96.02 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.64 144.37 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.828 ' HG2' HG22 ' A' ' 12' ' ' VAL . 27.7 mtm180 -87.11 83.26 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.2 143.46 48.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.01 135.25 18.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.8 t80 -48.97 -38.59 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.93 -19.76 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.4 t-20 -119.14 12.83 12.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.22 -29.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.88 -63.67 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.234 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.93 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -73.33 -44.34 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -57.23 -33.93 68.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 t -75.24 -36.31 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 42.5 t80 -61.66 -56.46 19.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.143 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -46.75 -57.28 5.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.37 -46.86 73.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -53.87 -43.6 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 9.8 pt20 -82.17 11.32 5.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.02 52.66 16.44 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 66' ' ' LEU . 5.0 tt -110.99 176.66 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 121.38 27.07 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -127.3 -170.16 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.952 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 t -159.86 160.06 33.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.619 HG23 ' NE2' ' A' ' 11' ' ' GLN . 5.9 mt -99.51 115.68 40.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -79.8 -91.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 76' ' ' MET . 8.2 tp -101.16 142.38 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.54 -141.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -159.51 111.22 2.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -51.59 105.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -143.22 177.25 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -139.95 -176.49 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.91 160.25 40.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.44 -175.44 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.6 p -84.4 173.37 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.86 153.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.715 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -109.21 -176.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.715 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -147.44 40.85 0.97 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 21.8 m-20 -83.86 -174.98 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 109.213 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 16.4 tt0 -170.31 137.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -96.61 167.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -159.92 154.17 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' LEU . 23.5 tt0 -97.82 147.64 24.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.439 HD13 HD11 ' A' ' 26' ' ' LEU . 12.1 mt -137.49 138.25 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 HG22 ' A' ' 49' ' ' THR . 47.0 t -131.87 93.69 26.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.51 5.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -148.57 -45.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -106.65 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -44.56 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -48.69 -54.08 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HB3' HD12 ' A' ' 71' ' ' ILE . 33.0 mt-30 -53.93 -42.4 68.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 37.8 mt -68.87 -42.95 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -60.73 -18.43 54.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.649 ' ND2' ' CZ ' ' A' ' 65' ' ' PHE . 5.7 t30 -66.5 -50.95 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 39' ' ' PHE . 11.9 mt -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -53.66 28.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -37.19 69.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 35' ' ' LEU . 6.0 tp -69.71 -64.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.95 -31.29 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.51 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.5 mm100 -49.7 100.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.251 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.0 -38.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.684 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.89 HD21 ' ND2' ' A' ' 58' ' ' ASN . 13.4 mt -101.49 48.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.2 tm0? -67.59 64.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -76.08 155.14 35.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.38 127.14 54.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.2 m-85 -93.05 126.23 38.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 20.7 m0 -61.02 -51.72 68.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -101.19 -170.32 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 101.31 48.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 -16.5 20.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.5 p -127.69 154.96 77.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.406 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.75 3.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -137.32 118.52 14.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.907 HG22 HG22 ' A' ' 16' ' ' VAL . 3.7 p -75.85 142.55 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -116.06 155.13 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -151.17 99.37 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.598 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.88 145.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 1.072 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.637 ' HG2' HG22 ' A' ' 12' ' ' VAL . 54.7 mtm180 -84.43 87.56 7.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.55 143.45 44.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 134.99 18.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -48.9 -39.05 24.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.21 -20.74 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.89 ' ND2' HD21 ' A' ' 35' ' ' LEU . 9.8 t-20 -117.4 12.07 14.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.25 -35.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -69.02 -65.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.01 -33.86 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG23 ' OD1' ' A' ' 58' ' ' ASN . 11.9 t -75.87 -43.74 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -58.68 -33.52 70.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -76.3 -33.92 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.649 ' CZ ' ' ND2' ' A' ' 25' ' ' ASN . 6.3 t80 -63.81 -56.63 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.914 HD23 HG21 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -45.89 -55.37 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.607 1.192 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -57.67 -45.72 85.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.78 -43.97 73.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.1 pt20 -79.55 7.46 8.19 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.446 1.091 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.7 52.3 34.64 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.571 1.169 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.914 HG21 HD23 ' A' ' 66' ' ' LEU . 4.0 tt -110.83 177.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.603 0.825 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.44 120.69 27.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -126.36 -169.72 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -160.07 158.22 30.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 75' ' ' ILE . 4.2 mp -99.16 115.09 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -68.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.2 tp -118.87 159.91 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -126.73 -144.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 0.0 110.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.71 72.44 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -102.25 117.48 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.5 0.191 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -170.08 70.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -163.08 177.14 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.1 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.613 1.196 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -116.09 156.93 25.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.496 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 45.5 p -119.8 175.67 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 6' ' ' THR . 27.0 m-85 -167.48 -175.4 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -141.88 -150.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.561 1.163 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.781 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -139.6 125.41 3.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.8 OUTLIER -76.59 -175.07 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.824 ' OE1' HG23 ' A' ' 77' ' ' ILE . 4.2 tp-100 -172.46 148.4 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -100.1 168.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.381 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.9 144.9 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.21 124.8 42.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' CG1' HD11 ' A' ' 13' ' ' LEU . 10.2 mt -114.18 144.45 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 49' ' ' THR . 20.0 t -132.88 97.18 17.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.98 -175.69 2.49 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t -165.42 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -106.12 170.04 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.02 -33.59 29.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.7 -43.0 99.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -67.34 -42.2 83.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 46' ' ' PRO . 18.3 mt -71.17 -37.2 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -65.03 -19.6 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.9 t-20 -73.05 -48.81 32.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.761 HD23 ' HG2' ' A' ' 43' ' ' PRO . 3.7 tp -54.33 -58.87 5.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -41.6 -52.83 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.1 tm0? -54.91 -39.22 68.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 HD13 ' A' ' 35' ' ' LEU . 11.6 tp -66.3 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 1.9 tm-20 -50.92 -28.5 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' LEU . 6.1 mm-40 -48.87 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -44.28 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' GLN . 8.9 m-70 -72.01 -44.18 63.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.899 HD21 ' ND2' ' A' ' 58' ' ' ASN . 12.1 mt -101.48 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -67.51 65.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -69.53 152.23 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.31 116.86 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 30' ' ' GLU . 22.9 m-85 -90.3 127.27 36.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.8 m0 -72.23 -43.42 64.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -42.12 101.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.761 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -38.54 -32.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.12 154.89 61.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HA ' HD11 ' A' ' 23' ' ' ILE . 18.6 Cg_endo -75.06 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.32 22.03 3.27 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -139.05 112.33 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.74 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.784 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -68.64 142.41 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.464 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.42 154.26 26.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.55 94.94 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.656 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -112.24 147.55 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 87.04 7.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.731 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -86.9 143.53 35.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 134.72 18.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.4 t80 -48.61 -39.25 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -65.97 -21.05 28.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.899 ' ND2' HD21 ' A' ' 35' ' ' LEU . 10.0 t-20 -117.18 12.59 14.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.12 -31.38 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' LYS . 20.6 tt0 -69.09 -65.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.12 -37.68 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 58' ' ' ASN . 95.7 t -73.32 -41.58 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -60.13 -33.85 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.3 t -76.46 -33.32 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 33.0 t80 -64.53 -55.42 20.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.881 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.32 -56.4 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.83 -46.1 78.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -54.42 -42.77 70.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 20.8 pt20 -82.57 12.46 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.95 53.09 9.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.881 HG21 HD23 ' A' ' 66' ' ' LEU . 6.4 tt -110.24 175.46 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.325 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.3 120.45 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.61 -169.02 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.006 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -169.99 167.49 8.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.473 HG21 ' OE1' ' A' ' 78' ' ' GLU . 7.3 mt -99.3 123.09 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -82.4 -68.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.824 HG23 ' OE1' ' A' ' 11' ' ' GLN . 7.4 tp -115.27 150.53 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' HG21 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -144.1 -143.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -90.35 75.45 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.5 p -90.22 111.98 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.544 0.211 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.87 130.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.76 176.96 9.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp -127.8 165.58 19.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.42 153.33 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 58.7 p -125.95 171.19 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 14.6 m-85 -167.49 -175.37 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 9' ' ' GLY . 2.8 t -107.68 -80.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.653 ' N ' HG12 ' A' ' 8' ' ' VAL . . . 135.41 -118.24 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -56.31 -175.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.353 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 3.8 tt0 -164.19 133.23 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -91.03 167.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -156.88 145.41 19.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.23 124.89 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 49' ' ' THR . 10.9 mt -114.71 147.07 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.968 HG22 HG22 ' A' ' 49' ' ' THR . 45.0 t -136.38 94.2 13.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -152.93 -45.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -107.02 178.84 4.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.68 -20.49 29.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 3.3 tp10 -64.08 -59.51 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -60.14 -31.46 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 43' ' ' PRO . 47.1 mt -75.14 -44.74 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.381 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -63.76 -16.93 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 13.7 m-80 -78.06 -33.41 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.8 mt -67.55 -49.21 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.22 -55.16 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -54.11 -35.78 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.045 ' CD1' HD13 ' A' ' 35' ' ' LEU . 15.5 tp -66.62 -63.81 0.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.49 -24.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -70.05 -45.08 67.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LEU . 11.7 mm-40 -46.79 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 2.3 mp0 -38.25 -57.82 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -54.65 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.581 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD13 ' CD1' ' A' ' 29' ' ' LEU . 12.6 mt -93.02 45.2 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 15.0 mt-30 -67.67 65.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' HG ' ' A' ' 29' ' ' LEU . 2.6 mt -71.28 165.27 24.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -131.54 113.27 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.0 126.79 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 25.7 m0 -66.27 -59.05 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.53 -142.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 10.8 p -137.62 96.94 10.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.1 -4.79 15.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -46.84 -30.62 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.549 1.156 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.77 156.36 77.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.84 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.585 1.834 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.64 19.81 6.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER -140.14 124.78 18.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.968 HG22 HG22 ' A' ' 16' ' ' VAL . 2.3 p -80.51 145.49 31.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -113.82 153.25 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.11 94.42 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.57 144.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -87.18 82.14 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.13 143.38 45.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.97 135.29 18.94 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.434 1.755 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 11.4 t80 -48.75 -39.48 25.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -65.96 -20.53 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.9 t-20 -117.55 12.37 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.09 -29.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.547 1.154 . . . . 0.0 109.194 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LYS . 27.9 tp60 -69.9 -67.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.4 -35.63 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 58' ' ' ASN . 79.2 t -74.64 -41.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -60.19 -33.66 72.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.222 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.17 -33.52 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 50.1 t80 -63.98 -55.04 25.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 71' ' ' ILE . 2.8 mt -47.63 -56.13 7.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -44.26 81.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 p -55.78 -42.82 76.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 19.9 pt20 -81.57 11.15 4.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 47.24 53.27 11.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.891 HG21 HD23 ' A' ' 66' ' ' LEU . 9.9 tt -110.25 173.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.06 119.03 28.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -132.83 -168.87 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -167.23 168.61 13.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.395 1.059 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.0 mt -99.15 128.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -93.05 -68.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.954 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.0 tp -118.27 149.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -127.68 -144.37 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.573 ' HA ' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -85.32 73.73 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.1 106.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.503 0.192 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.38 170.42 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -164.5 109.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.042 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 mt -128.76 158.28 39.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.28 157.29 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 p -140.34 154.07 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -167.46 -175.41 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.0 t -118.29 -179.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.68 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -138.51 27.42 2.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 111.08 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 9.4 m-20 -85.72 -176.82 6.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 0.735 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.29 127.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -86.08 167.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -155.66 144.47 20.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -98.64 125.5 43.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 13' ' ' LEU . 2.8 mt -116.89 146.39 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 49' ' ' THR . 41.1 t -134.85 89.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -175.62 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 t -168.25 -40.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.044 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.21 159.14 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -28.45 64.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 21' ' ' GLU . 2.3 tp10 -64.12 -54.31 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 71' ' ' ILE . 26.1 mt-30 -63.64 -25.66 68.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 HD11 ' CA ' ' A' ' 46' ' ' PRO . 8.3 mt -78.07 -38.87 24.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -69.67 -21.23 63.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.44 -61.01 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.685 ' N ' HD22 ' A' ' 25' ' ' ASN . 0.7 OUTLIER -49.46 -60.7 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.63 -51.2 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -38.35 69.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 35' ' ' LEU . 10.8 tp -66.92 -63.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -47.35 -40.59 17.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -47.95 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 66.0 mm-40 -55.38 99.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 18.8 mm-40 -38.49 -57.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -41.22 -42.72 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.964 HD21 ' ND2' ' A' ' 58' ' ' ASN . 17.2 mt -100.73 48.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.1 mt-30 -67.93 64.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 149.5 35.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.29 122.83 47.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE1' HD21 ' A' ' 26' ' ' LEU . 23.4 m-85 -91.03 126.56 36.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 37.1 m0 -68.95 -60.13 2.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 49' ' ' THR . 1.2 mtpt -98.86 109.67 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.0 p -42.84 102.04 0.26 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' CG ' ' CD2' ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.687 HG22 HG23 ' A' ' 45' ' ' THR . 1.0 OUTLIER -35.89 -53.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.687 HG23 HG22 ' A' ' 44' ' ' THR . 25.1 p -112.11 156.57 41.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.365 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' CA ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.29 -23.89 16.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.147 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 5.1 pt-20 -105.28 108.41 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.042 HG22 HG22 ' A' ' 16' ' ' VAL . 20.4 p -59.08 156.13 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.89 154.86 32.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -149.32 93.56 2.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -112.04 146.52 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.69 ' HG2' HG22 ' A' ' 12' ' ' VAL . 4.6 mtm180 -87.2 91.42 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -88.35 143.49 32.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -75.01 134.72 18.14 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 6.6 t80 -48.66 -39.06 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.0 p -66.04 -21.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.964 ' ND2' HD21 ' A' ' 35' ' ' LEU . 11.3 t-20 -116.72 12.23 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -77.18 -36.69 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.3 tp60 -65.52 -69.15 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.16 -36.18 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.717 HG23 ' OD1' ' A' ' 58' ' ' ASN . 24.0 t -76.02 -44.35 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -57.56 -31.43 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.75 -39.46 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 6.1 t80 -59.6 -54.4 46.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 ' CD2' ' A' ' 73' ' ' TYR . 43.6 mt -46.89 -58.65 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -41.3 77.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -58.38 -44.56 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.078 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.4 pt20 -77.86 5.5 9.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.64 42.59 67.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 66' ' ' LEU . 12.4 tt -97.17 172.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.87 117.12 25.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.67 ' CD2' HD13 ' A' ' 66' ' ' LEU . 1.4 p90 -136.72 -168.16 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -171.11 177.61 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 11' ' ' GLN . 4.9 mp -99.24 129.29 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -64.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.0 tp -148.33 129.81 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -97.8 -142.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 14.0 t0 -162.01 112.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.4 p -86.41 107.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.513 0.196 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -107.93 138.15 44.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -69.75 136.16 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.75 167.61 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 3.6 tt0 -93.75 133.91 36.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.0 p -102.74 157.9 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 5' ' ' GLU . 8.4 m-85 -167.26 -175.35 2.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -136.74 -59.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.67 74.53 1.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -56.09 177.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' ' 75' ' ' ILE . 1.2 tt0 -155.38 144.38 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -99.56 168.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -158.29 144.58 17.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 76' ' ' MET . 1.3 pm0 -97.62 128.59 44.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.8 mt -117.21 144.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 HG22 ' A' ' 49' ' ' THR . 40.1 t -125.13 91.84 48.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 t -166.64 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -104.5 169.92 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -41.39 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER -55.48 -45.61 76.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.674 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -60.56 -43.77 96.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' PRO . 19.9 mt -70.29 -39.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -66.0 -13.51 60.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -72.31 -48.08 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.7 mt -62.61 -44.69 95.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -53.93 36.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -36.97 72.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 35' ' ' LEU . 20.7 tp -69.33 -64.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 2.7 tt0 -49.24 -30.5 7.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.46 -45.7 88.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 50.3 mm-40 -51.44 102.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' GLN . 3.1 tt0 -37.76 -60.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -41.3 -42.72 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 29' ' ' LEU . 15.3 mt -99.88 47.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -67.48 64.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -79.53 164.61 23.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -133.02 108.74 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.607 ' CE1' HD22 ' A' ' 26' ' ' LEU . 42.8 m-85 -71.93 122.09 20.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -58.19 -43.13 87.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' SER . 5.5 mttp -115.64 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 18.3 p -37.92 106.69 0.37 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 54.15 3.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.676 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.0 OUTLIER -67.34 -60.08 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.676 ' CG2' HG22 ' A' ' 44' ' ' THR . 8.6 p -107.39 163.6 16.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.06 36.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.83 -21.32 44.25 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -94.51 102.13 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.723 HG22 HG22 ' A' ' 16' ' ' VAL . 6.3 p -57.96 144.13 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -109.46 156.49 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.7 96.64 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.42 143.59 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.777 ' HG2' HG22 ' A' ' 12' ' ' VAL . 17.5 mtm180 -86.19 84.44 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.729 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -83.52 143.37 44.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.91 135.53 19.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.505 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.9 t80 -49.2 -38.34 25.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -67.17 -19.4 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.841 ' ND2' HD21 ' A' ' 35' ' ' LEU . 9.5 t-20 -119.8 12.89 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.86 -33.55 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 110.238 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.13 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 58' ' ' ASN . 43.8 t -72.81 -45.31 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -56.21 -35.92 67.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.22 -35.0 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.574 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 19.1 t80 -62.32 -53.73 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -50.01 -57.35 7.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -45.35 70.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.63 -43.11 72.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 8.6 pt20 -83.07 13.14 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.87 53.11 9.05 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.456 1.098 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 66' ' ' LEU . 4.8 tt -110.48 176.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.9 121.37 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -131.57 -169.4 2.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.75 163.21 18.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' ' 11' ' ' GLN . 3.1 mt -99.33 128.99 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.445 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 3.6 tpt -93.77 -66.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.465 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.4 tp -116.29 155.52 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -124.45 -144.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.03 73.18 10.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.41 106.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.552 0.215 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.57 144.95 32.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 161.77 26.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.44 166.35 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -110.0 136.09 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 p -125.83 168.72 13.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.9 p -127.7 -150.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.773 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -131.11 81.36 0.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.593 1.183 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -92.12 173.16 7.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 1.0 OUTLIER -159.68 142.04 13.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.01 167.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -159.58 151.29 20.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 15' ' ' ILE . 3.7 tt0 -97.48 145.97 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 17.6 mt -134.46 141.07 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.905 HG22 HG22 ' A' ' 49' ' ' THR . 48.2 t -133.77 95.47 17.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 -176.07 2.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.426 1.751 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -160.77 -43.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.51 174.34 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.2 mp0 -78.89 -40.78 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.61 -50.36 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.77 ' HB3' HD12 ' A' ' 71' ' ' ILE . 22.9 mt-30 -57.87 -42.06 83.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD11 ' N ' ' A' ' 46' ' ' PRO . 13.1 mt -70.5 -36.91 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' GLU . 3.0 tttp -67.04 -17.81 65.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 t-20 -72.43 -57.02 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -51.3 -59.36 4.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.4 -51.5 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.74 -38.55 69.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 35' ' ' LEU . 11.0 tp -66.67 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -48.8 -38.78 22.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -46.25 53.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 18.2 mm100 -56.45 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' GLN . 14.7 tt0 -38.13 -57.62 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -41.08 -42.97 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 29' ' ' LEU . 24.8 mt -100.2 48.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.77 65.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -76.97 148.85 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.55 121.71 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE1' HD21 ' A' ' 26' ' ' LEU . 22.2 m-85 -91.2 126.66 36.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 17.0 m0 -63.66 -62.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -105.16 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.18 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.8 p -41.76 101.29 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.94 0.47 8.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 m -38.04 -30.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' PRO . 11.6 p -125.24 153.98 71.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 -173.91 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.36 13.67 30.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -132.92 122.19 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.905 HG22 HG22 ' A' ' 16' ' ' VAL . 5.0 p -74.97 141.36 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.617 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -114.68 154.88 27.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -150.74 99.11 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.677 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.46 144.62 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -84.54 87.59 7.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 55' ' ' PRO . 73.3 t -84.48 143.64 41.82 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 7.0 t80 -49.06 -39.21 26.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.09 -20.31 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 62' ' ' VAL . 16.1 t30 -117.62 11.88 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.21 -29.89 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -74.03 -62.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.03 -34.16 9.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 58' ' ' ASN . 60.1 t -76.78 -43.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -59.2 -33.4 70.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.9 t -76.17 -33.98 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.6 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 12.1 t80 -63.64 -56.84 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.902 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -45.8 -55.57 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -57.29 -46.11 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 p -54.49 -43.89 72.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -79.99 7.82 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.36 52.34 32.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.902 HG21 HD23 ' A' ' 66' ' ' LEU . 3.9 tt -110.59 177.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.18 120.79 27.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.612 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -126.65 -169.56 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 110.974 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -160.78 158.01 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.26 110.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -68.43 0.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 4.9 tt -116.33 153.09 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -143.7 -143.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 73.89 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.47 106.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.462 0.172 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -167.44 145.31 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -176.8 152.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 5' ' ' GLU . 46.9 tp -149.21 162.58 39.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 6' ' ' THR . 25.0 tt0 -116.07 107.65 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 5' ' ' GLU . 13.6 p -153.56 161.82 41.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -175.78 153.82 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.38 165.97 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.06 73.92 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -92.76 179.38 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.8 tt0 -168.07 136.79 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -92.24 167.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.88 143.88 21.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.33 122.94 42.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG1' HD11 ' A' ' 13' ' ' LEU . 6.6 mt -112.17 142.39 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.83 94.82 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -174.72 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.0 t -170.87 -40.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.401 1.063 . . . . 0.0 109.986 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -106.39 172.22 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.42 -38.13 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.7 mt-30 -63.14 -40.84 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 43' ' ' PRO . 32.1 mt -72.29 -41.14 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -15.58 60.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.6 t-20 -70.75 -41.58 71.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.6 mt -64.94 -47.5 77.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -53.88 29.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -37.31 70.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.902 HD11 HD13 ' A' ' 35' ' ' LEU . 20.0 tp -68.63 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -52.55 -36.01 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.65 -45.47 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 35' ' ' LEU . 67.8 mm-40 -55.32 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLN . 14.5 mm-40 -38.91 -31.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 35' ' ' LEU . 7.1 t60 -59.69 -49.22 78.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.902 HD13 HD11 ' A' ' 29' ' ' LEU . 12.9 mt -103.54 51.07 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.1 tm0? -67.36 64.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.751 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -72.38 165.42 24.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -118.93 124.53 47.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 20.8 m-85 -93.51 130.74 39.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 26.0 m0 -70.4 -53.6 15.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -112.54 111.82 22.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -41.93 102.0 0.26 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.4 Cg_endo -74.89 0.1 9.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.496 1.787 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -29.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.391 1.057 . . . . 0.0 110.325 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 10.4 p -129.42 152.18 79.15 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' THR . 18.3 Cg_endo -75.05 -170.7 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.565 1.824 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.94 9.41 40.17 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.565 1.165 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -146.04 103.2 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 0.716 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 42.1 p -56.85 156.75 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -112.85 158.22 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.1 m80 -149.99 95.31 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.52 142.24 25.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' HG22 ' A' ' 12' ' ' VAL . 19.5 mtm180 -84.24 86.06 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -86.42 146.72 42.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.868 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.97 135.86 19.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.811 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.511 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 4.6 t80 -49.51 -38.92 32.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.61 -19.1 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.897 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.0 t30 -119.22 12.38 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.64 -28.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -74.88 -55.83 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.67 -40.78 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.993 HG21 HG21 ' A' ' 54' ' ' VAL . 26.5 t -71.39 -41.84 73.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -59.0 -29.0 66.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.79 -38.26 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 29' ' ' LEU . 9.0 t80 -60.54 -43.62 96.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 71' ' ' ILE . 1.1 mt -60.88 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.56 61.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -74.57 -40.93 61.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 5.2 pt20 -80.64 7.66 9.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.78 50.97 58.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 66' ' ' LEU . 4.4 tt -116.82 177.25 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.11 123.72 27.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.625 ' CE1' ' CB ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -131.13 -169.4 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -165.37 166.9 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.968 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -99.15 131.18 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -69.98 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.8 tp -116.92 158.98 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -124.27 -144.19 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.19 77.43 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 0.0 109.223 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -42.7 106.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ttp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.42 0.152 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -179.64 97.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -178.83 141.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mt -141.8 162.91 34.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.69 162.6 17.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 76.2 p -134.27 159.23 41.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 6' ' ' THR . 30.4 m-85 -167.1 -175.34 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.23 161.62 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.69 174.55 17.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.21 -175.81 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 18.2 tt0 -171.62 133.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -92.35 167.49 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -155.42 143.86 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -98.36 121.25 40.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.363 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 13' ' ' LEU . 8.7 mt -109.6 142.37 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.804 HG22 HG22 ' A' ' 49' ' ' THR . 95.3 t -123.31 94.08 47.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB2' HD11 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -174.24 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.435 1.756 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.4 t -179.21 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -107.95 149.8 27.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' LYS . 7.1 mt-10 -65.52 -38.67 90.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.18 . . . . 0.0 110.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.88 -44.46 97.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.848 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -65.77 -41.16 92.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.603 HG21 ' O ' ' A' ' 44' ' ' THR . 8.1 mt -72.31 -34.72 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -65.05 -22.07 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.261 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 65' ' ' PHE . 2.2 t-20 -67.93 -50.03 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -56.06 -59.5 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -50.96 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -56.55 -38.29 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 35' ' ' LEU . 12.8 tp -66.1 -62.8 1.29 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -49.29 -34.4 15.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.281 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -54.33 -47.25 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 35' ' ' LEU . 12.1 mm100 -51.57 101.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -38.0 -60.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -41.03 -42.72 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.559 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 29' ' ' LEU . 19.5 mt -100.42 48.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.3 mt-30 -67.43 65.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -74.66 165.5 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -130.44 114.63 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 26' ' ' LEU . 21.3 m-85 -86.08 126.97 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 40.7 m0 -61.26 -69.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -91.21 108.5 19.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 56.5 p -39.78 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.736 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.1 Cg_endo -75.05 2.71 6.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.603 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.1 p -117.37 155.87 49.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 17' ' ' PRO . 18.6 Cg_endo -74.92 169.81 21.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.52 -28.45 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 4.5 pt-20 -100.67 107.84 19.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.804 HG22 HG22 ' A' ' 16' ' ' VAL . 3.2 p -60.03 141.8 55.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.736 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -102.99 151.43 22.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 40' ' ' TRP . 1.0 OUTLIER -147.05 93.02 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -110.52 144.18 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HG2' HG22 ' A' ' 12' ' ' VAL . 38.6 mtm180 -85.67 84.34 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.5 p -82.5 143.26 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.99 135.3 18.91 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.504 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 10.3 t80 -49.03 -39.08 25.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.19 -20.35 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.648 ' O ' HG23 ' A' ' 62' ' ' VAL . 6.7 t-20 -117.42 11.55 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -75.88 -29.74 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -72.62 -64.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.46 -36.02 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 58' ' ' ASN . 73.0 t -75.32 -40.5 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -60.87 -31.68 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 t -76.99 -37.51 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE2' ' OD1' ' A' ' 25' ' ' ASN . 20.6 t80 -60.48 -42.79 97.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.974 HD13 ' CG ' ' A' ' 73' ' ' TYR . 96.1 mt -60.9 -62.1 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -31.15 56.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 p -74.84 -38.39 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.856 HE21 HD13 ' A' ' 71' ' ' ILE . 1.1 pt20 -86.39 28.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 36.16 55.08 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.856 HD13 HE21 ' A' ' 69' ' ' GLN . 0.8 OUTLIER -119.65 176.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.59 124.19 20.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.974 ' CG ' HD13 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -127.25 -169.59 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.406 ' C ' ' OE2' ' A' ' 14' ' ' GLU . 2.4 t -158.81 165.38 34.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 75' ' ' ILE . 5.4 mp -99.45 117.24 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' OE2' ' A' ' 14' ' ' GLU . 2.7 ttt -84.37 -56.12 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 77' ' ' ILE . 7.2 tp -140.75 135.8 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -94.33 -141.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.457 ' N ' ' CG ' ' A' ' 78' ' ' GLU . 3.3 m-20 -88.68 74.85 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.0 p -40.37 106.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.526 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -83.51 96.72 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -44.99 124.95 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 5' ' ' GLU . 6.7 tt -43.64 162.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.601 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.0 tt0 -116.72 158.08 24.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' CD2' ' A' ' 7' ' ' PHE . 23.0 p -100.22 166.87 10.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' CD2' ' C ' ' A' ' 6' ' ' THR . 1.6 p90 -175.8 153.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.7 p -90.94 -150.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.791 ' N ' HG13 ' A' ' 8' ' ' VAL . . . 129.29 142.86 5.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 2.2 m-20 -76.09 -176.85 3.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 6.7 tt0 -167.42 141.91 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -97.38 169.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -158.68 146.74 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.4 123.27 42.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.168 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 13' ' ' LEU . 20.5 mt -114.89 150.21 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 49' ' ' THR . 21.7 t -141.0 93.77 8.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HG3' ' CB ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.99 -175.67 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -163.83 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -98.63 176.55 5.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 -36.93 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.64 -46.8 67.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.814 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.6 mp0 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -73.42 -38.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -14.53 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 69' ' ' GLN . 3.4 m120 -81.65 -53.46 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -49.07 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -53.01 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.73 -37.26 70.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.175 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.021 HD11 HD12 ' A' ' 35' ' ' LEU . 17.1 tp -67.8 -64.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -51.61 -25.57 7.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -66.07 -38.2 87.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' HIS . 23.1 mm-40 -60.61 81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.4 mt-10 -51.46 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 6.9 m-70 -175.69 -57.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.021 HD12 HD11 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.54 -39.22 92.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.08 54.61 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -86.55 148.17 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG23 ' A' ' 52' ' ' VAL . 6.5 t0 -143.71 108.44 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -89.25 117.12 27.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -49.76 -52.0 35.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 42' ' ' SER . 23.3 tttp -121.83 78.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' LYS . 93.1 p -37.77 141.83 0.46 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.702 ' CG ' HD22 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 54.71 3.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -60.18 3.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p -92.7 166.07 17.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.55 14.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 -37.38 3.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 122.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 16' ' ' VAL . 4.5 p -73.53 139.95 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -124.19 153.91 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.2 m80 -148.01 96.5 2.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -109.33 147.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 83.37 6.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -84.9 146.55 46.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.848 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.08 133.75 16.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.6 t80 -48.57 -37.38 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.38 -21.96 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.969 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.9 t30 -106.04 -19.09 13.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.2 t -45.14 -38.77 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LYS . 1.4 tt0 -65.28 -68.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.0 -33.12 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 58' ' ' ASN . 27.6 t -74.27 -43.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' GLN . 10.9 mttt -58.13 -33.59 69.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 t -76.86 -34.73 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 43.2 t80 -63.74 -55.87 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD23 HG21 ' A' ' 71' ' ' ILE . 1.4 mt -47.39 -56.74 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.73 -46.57 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 p -53.96 -42.9 69.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 21.2 pt20 -83.13 13.57 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.92 53.7 7.24 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.872 HG21 HD23 ' A' ' 66' ' ' LEU . 6.3 tt -110.99 175.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.24 120.37 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -132.39 -169.06 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -168.42 168.52 11.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.437 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 10.1 mt -99.16 130.33 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 tpt -97.06 -62.34 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 8.4 tp -124.81 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.03 -144.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.23 77.24 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -43.63 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.255 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.435 0.16 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.87 179.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -150.54 -177.97 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.29 152.57 45.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.93 151.6 36.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -96.42 165.97 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.439 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.03 153.94 1.38 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 9' ' ' GLY . 2.1 t -131.79 172.24 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -148.31 93.35 0.15 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -92.33 159.69 15.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -148.35 125.72 11.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 77' ' ' ILE . 2.8 t -89.01 175.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 ' H ' HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -158.86 147.08 18.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -98.32 121.98 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 13' ' ' LEU . 7.5 mt -110.9 147.29 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 49' ' ' THR . 39.5 t -132.04 90.9 33.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' CB ' HG13 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 174.43 12.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -139.64 -46.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -108.39 -162.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.03 -21.48 15.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.98 -57.01 13.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.883 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -58.99 -37.61 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.342 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 17' ' ' PRO . 37.7 mt -70.96 -42.41 77.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.94 -17.61 64.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.604 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 1.8 t-20 -75.81 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.8 tp -52.68 -60.13 3.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.82 -51.26 5.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -37.77 69.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 11.4 tp -67.59 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -54.41 -43.8 71.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -47.07 -40.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' HIS . 36.8 mm-40 -67.38 68.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 7.7 pt-20 -49.35 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 91.8 m-70 -160.5 -44.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.683 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.918 HD22 ' OD1' ' A' ' 58' ' ' ASN . 90.1 mt -69.21 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.598 1.186 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' CG ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 157.22 47.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 1.2 mp -94.38 164.04 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' C ' HG12 ' A' ' 52' ' ' VAL . 32.7 t0 -168.74 105.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 30' ' ' GLU . 37.6 m-85 -63.46 120.68 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -78.42 -40.5 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.13 -168.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 p -113.72 92.04 23.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 18.2 Cg_endo -75.0 -2.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -37.82 -60.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.479 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.4 p -89.06 156.05 49.29 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 154.22 41.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.57 -2.01 87.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -100.66 106.1 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.594 HG22 HG22 ' A' ' 16' ' ' VAL . 6.5 p -58.17 140.75 52.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.669 ' HB2' ' HB3' ' A' ' 43' ' ' PRO . . . -113.72 156.22 24.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.5 m80 -148.44 97.9 2.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 39' ' ' PHE . 4.6 m -105.58 130.59 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -82.05 87.08 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -94.19 147.0 32.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.02 136.66 20.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 13.2 t80 -49.59 -39.58 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 57' ' ' VAL . 1.9 p -66.34 -18.23 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.918 ' OD1' HD22 ' A' ' 35' ' ' LEU . 9.4 t30 -120.57 12.95 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.185 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.591 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -76.0 -29.45 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.7 tt0 -67.54 -68.08 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.34 -36.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.126 HG21 HG21 ' A' ' 54' ' ' VAL . 46.6 t -74.24 -43.32 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -59.2 -34.81 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -74.26 -33.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.604 ' CZ ' ' OD1' ' A' ' 25' ' ' ASN . 47.5 t80 -63.19 -56.8 13.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD23 HG21 ' A' ' 71' ' ' ILE . 5.1 mt -46.58 -54.88 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -58.45 -44.02 89.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -56.01 -42.13 75.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 7.8 pt20 -81.55 11.94 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.97 53.44 8.94 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.883 HD12 ' HB3' ' A' ' 22' ' ' GLN . 10.3 tt -110.07 173.35 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.43 118.95 29.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -133.9 -169.1 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 0.0 111.039 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.6 168.22 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mt -99.22 127.48 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.3 -69.0 0.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -109.1 118.64 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -138.91 -144.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -85.04 73.59 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -41.77 106.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.245 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.482 0.182 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.87 141.77 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -142.74 123.34 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -159.92 147.59 16.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -106.05 147.38 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.3 p -90.23 162.21 15.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 2.9 t80 -157.97 -171.8 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 7' ' ' PHE . 2.1 t -148.34 160.31 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.28 113.31 1.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -55.89 170.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' ILE . 2.8 tt0 -149.87 138.1 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -91.4 166.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -158.6 151.66 22.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CB ' ' SD ' ' A' ' 76' ' ' MET . 10.0 tt0 -97.26 149.16 22.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 49' ' ' THR . 22.3 mt -137.32 140.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.925 HG22 HG22 ' A' ' 49' ' ' THR . 23.1 t -134.5 93.2 19.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 178.55 7.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.78 -45.88 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -104.7 -179.4 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.28 -41.38 18.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.816 ' HB3' HD12 ' A' ' 71' ' ' ILE . 2.3 mp0 -56.77 -44.73 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.803 HG21 ' O ' ' A' ' 44' ' ' THR . 35.2 mt -68.11 -43.56 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.4 -15.84 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 65' ' ' PHE . 2.3 t-20 -71.23 -54.26 11.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.85 HD21 ' CE1' ' A' ' 39' ' ' PHE . 2.9 tp -51.66 -60.25 3.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -42.07 -52.07 4.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.19 -38.32 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.941 HD11 ' CD1' ' A' ' 35' ' ' LEU . 14.5 tp -66.9 -63.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -48.4 -40.14 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.17 -49.39 77.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 109.38 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -38.76 105.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.71 82.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.575 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -174.57 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD11 ' A' ' 29' ' ' LEU . 12.1 mt -95.86 -65.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 57.63 54.52 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.808 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -77.74 161.4 27.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.16 115.16 24.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.85 ' CE1' HD21 ' A' ' 26' ' ' LEU . 29.8 m-85 -90.35 121.51 32.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.404 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 46.1 m0 -50.43 -71.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 43' ' ' PRO . 36.0 tttm -90.17 104.9 17.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.5 p -38.11 98.84 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.74 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 54.08 3.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.803 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.1 m -80.66 -40.44 25.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.381 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.513 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.8 p -123.09 163.24 34.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -174.23 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.35 19.1 63.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -140.65 130.11 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.925 HG22 HG22 ' A' ' 16' ' ' VAL . 1.9 p -84.19 141.37 31.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -115.71 155.91 26.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.79 100.92 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.614 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.07 149.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.719 ' HG2' HG22 ' A' ' 12' ' ' VAL . 11.2 mtm180 -91.33 88.85 7.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.831 HG22 ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -88.85 145.94 35.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.93 136.05 20.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 3.0 t80 -49.65 -39.16 35.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 57' ' ' VAL . 2.0 p -66.14 -19.91 26.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.813 ' CG ' HD21 ' A' ' 35' ' ' LEU . 8.5 t-20 -117.69 11.46 13.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.8 -29.84 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -72.49 -61.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.64 -38.0 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 54' ' ' VAL . 95.4 t -75.79 -39.75 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -30.75 71.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.72 -40.16 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD2' ' OE1' ' A' ' 69' ' ' GLN . 4.2 t80 -57.3 -49.84 74.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.866 HD23 ' CG2' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -54.41 -51.23 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.99 -32.31 73.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.269 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -71.69 -48.67 45.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.602 ' OE1' ' CD2' ' A' ' 65' ' ' PHE . 2.3 pt20 -73.31 3.09 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.69 54.81 32.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.409 1.068 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.866 ' CG2' HD23 ' A' ' 66' ' ' LEU . 3.4 tt -114.65 178.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.62 124.39 39.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HB3' HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.77 -169.52 2.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.77 161.88 32.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.59 119.55 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.479 ' SD ' ' CB ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -84.17 -92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 7.2 tp -106.72 139.44 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.38 -141.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.99 74.32 9.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.6 p -91.63 112.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.45 0.167 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -82.98 164.93 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -103.14 -178.98 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -61.15 172.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.677 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.0 tt0 -116.78 176.05 5.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -54.32 -169.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -130.39 -170.8 2.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -96.55 -150.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -161.48 -174.02 30.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -71.84 -176.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.732 ' NE2' HG23 ' A' ' 75' ' ' ILE . 11.4 tt0 -165.26 142.07 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.871 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -97.22 168.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD11 HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -153.06 145.34 23.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -98.91 121.0 40.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.577 HG12 HD11 ' A' ' 13' ' ' LEU . 13.1 mt -113.32 139.91 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 49' ' ' THR . 80.3 t -124.39 91.69 49.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.42 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 30.6 t 177.06 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.958 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.8 137.53 42.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' LYS . 2.0 mp0 -51.77 -34.9 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -58.56 -35.98 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.643 ' HB3' HD12 ' A' ' 71' ' ' ILE . 65.0 mt-30 -72.25 -43.66 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.8 mt -72.29 -33.75 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' GLU . 14.6 mtpt -69.42 -17.12 63.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.7 m-20 -82.44 -41.68 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD13 ' HG3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -58.19 -63.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.55 -51.8 11.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -57.43 -37.12 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 35' ' ' LEU . 15.2 tp -66.03 -62.79 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -43.36 -26.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -72.42 -47.56 48.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 5.7 mm-40 -37.54 114.49 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 110.232 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -68.08 62.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 28.4 p80 -176.29 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.646 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' OD1' ' A' ' 58' ' ' ASN . 12.1 mt -100.62 42.67 1.1 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 1.1 tm0? -67.42 65.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -71.53 166.81 21.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.472 ' H ' HG23 ' A' ' 52' ' ' VAL . 8.6 t70 -126.82 112.92 15.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 26' ' ' LEU . 1.6 m-85 -94.29 115.69 27.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -51.8 -53.04 44.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 107.996 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -117.09 82.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 41.9 p -36.85 132.0 0.69 Allowed Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HG3' HD13 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 54.81 3.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.898 HG22 HG23 ' A' ' 45' ' ' THR . 1.1 m -49.28 -60.15 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.898 HG23 HG22 ' A' ' 44' ' ' THR . 17.9 p -114.98 162.27 24.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.1 144.21 29.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.9 -30.4 8.75 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.7 pt-20 -90.93 102.95 15.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 16' ' ' VAL . 43.2 p -55.52 156.47 4.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -119.98 154.67 34.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 41' ' ' LYS . 1.9 m80 -144.12 96.27 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.646 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -106.96 142.44 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -87.93 83.51 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.4 p -85.94 143.8 38.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.372 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.07 134.84 18.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.49 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 8.7 t80 -48.72 -37.82 19.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 57' ' ' VAL . 2.1 p -67.94 -18.9 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.76 ' OD1' HD21 ' A' ' 35' ' ' LEU . 12.3 t-20 -121.48 14.6 11.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 56' ' ' PHE . 2.1 t -76.83 -29.82 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' LYS . 5.7 tp60 -69.92 -63.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.33 -40.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 58' ' ' ASN . 61.3 t -71.79 -45.3 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 75' ' ' ILE . 12.6 mmtp -56.27 -34.11 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 t -74.88 -36.74 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 46.7 t80 -60.85 -56.17 24.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.888 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -50.39 -57.93 6.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.228 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -42.67 62.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -39.83 78.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' GLY . 21.3 pt20 -88.99 23.76 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.65 49.79 1.02 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.888 HG21 HD23 ' A' ' 66' ' ' LEU . 8.1 tt -102.35 174.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.571 0.806 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.71 118.68 28.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.16 -171.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -159.5 149.86 19.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 63' ' ' LYS . 4.1 mp -100.5 113.38 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.472 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.2 ttt -81.71 -92.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 12' ' ' VAL . 1.3 pt -80.72 174.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.13 -142.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.87 51.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 80' ' ' VAL . 2.3 p -103.21 115.96 46.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -101.58 163.24 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -98.68 170.48 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.2 171.96 7.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.57 159.64 15.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 p -101.11 -169.45 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.18 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -146.28 -171.5 3.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.8 p -106.02 -150.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.779 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -162.64 -179.79 37.44 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -72.91 -176.82 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.229 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.744 ' NE2' HG23 ' A' ' 75' ' ' ILE . 7.6 tt0 -166.96 146.24 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 HD11 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -99.23 168.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -151.7 140.79 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 73' ' ' TYR . 2.8 mt-10 -98.27 120.5 38.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 13' ' ' LEU . 3.1 mp -112.96 139.44 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.72 93.02 46.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -178.41 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -109.59 143.94 38.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -30.36 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 19.0 tt0 -59.29 -38.18 79.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' HD12 ' A' ' 71' ' ' ILE . 1.4 mp0 -70.38 -42.91 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 44' ' ' THR . 18.8 mt -72.45 -35.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -67.86 -16.49 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 21' ' ' GLU . 12.8 m-20 -83.44 -51.9 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' ' 43' ' ' PRO . 6.7 tp -55.8 -59.75 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -44.3 -50.52 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.25 -38.75 74.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.067 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 35' ' ' LEU . 12.2 tp -63.78 -61.35 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 1.6 tt0 -43.92 -25.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 28' ' ' GLN . . . -74.6 -47.17 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.391 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 34' ' ' HIS . 13.4 mm-40 -36.58 114.29 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.19 62.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 32' ' ' GLN . 29.2 p80 -176.17 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD21 ' OD1' ' A' ' 58' ' ' ASN . 11.5 mt -99.85 44.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 36' ' ' GLN . 2.3 tm0? -67.55 65.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -69.93 165.05 22.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -120.93 116.19 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 30' ' ' GLU . 10.2 m-85 -91.09 119.78 31.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 22.9 m0 -56.66 -49.34 75.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' CD ' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -115.56 103.81 11.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.7 p -38.94 107.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' ' 26' ' ' LEU . 18.5 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.449 1.763 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.748 HG22 ' CG2' ' A' ' 45' ' ' THR . 1.1 m -64.89 -60.15 3.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 110.347 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.748 ' CG2' HG22 ' A' ' 44' ' ' THR . 9.9 p -111.12 163.49 17.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.24 -38.88 3.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -95.43 103.2 15.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 35.1 p -57.23 153.46 11.96 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -110.91 157.3 20.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.589 ' CE1' ' CD ' ' A' ' 41' ' ' LYS . 1.4 m80 -147.47 97.16 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.58 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -109.76 141.59 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' CD ' ' HB3' ' A' ' 10' ' ' ASP . 2.1 ttm180 -86.59 85.5 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -87.69 146.65 39.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.0 136.04 19.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 12.1 t80 -49.8 -38.76 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 57' ' ' VAL . 1.9 p -67.09 -18.12 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.817 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 t-20 -120.8 12.88 11.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 54' ' ' VAL . 2.1 t -75.66 -29.72 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -70.36 -62.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.74 -41.48 3.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.992 HG21 HG21 ' A' ' 54' ' ' VAL . 38.2 t -71.92 -44.68 66.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.909 ' NZ ' HD11 ' A' ' 75' ' ' ILE . 14.9 mmtt -56.86 -34.57 67.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.601 1.188 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -74.11 -36.79 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 39.3 t80 -60.06 -54.13 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -53.23 -58.98 5.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -41.43 47.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -58.64 -40.39 83.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' GLY . 20.8 pt20 -89.16 24.49 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . 35.18 45.16 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.882 HG21 HD23 ' A' ' 66' ' ' LEU . 8.6 tt -96.69 174.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.26 118.81 29.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -127.51 -170.66 2.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 t -159.73 151.14 19.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.909 HD11 ' NZ ' ' A' ' 63' ' ' LYS . 8.7 mt -101.86 112.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.449 ' CG ' ' N ' ' A' ' 77' ' ' ILE . 4.0 ttt -78.6 -92.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.648 HD11 HG23 ' A' ' 12' ' ' VAL . 6.5 pt -82.5 175.32 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.96 -142.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -143.87 51.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 80' ' ' VAL . 1.7 p -97.84 113.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.578 0.227 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -23.52 42.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -141.15 118.32 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -129.08 -173.95 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.368 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.28 146.73 33.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -44.57 168.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.577 1.173 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -157.47 -171.71 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' N ' ' A' ' 9' ' ' GLY . 1.7 p -122.21 -150.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.784 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -103.84 173.71 21.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.64 179.95 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' O ' HG12 ' A' ' 54' ' ' VAL . 11.2 tt0 -162.54 128.49 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.4 167.01 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD11 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -155.36 144.95 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 124.31 43.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD11 HD11 ' A' ' 13' ' ' LEU . 6.4 mt -113.65 147.52 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 49' ' ' THR . 44.9 t -130.52 90.96 39.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.435 1.755 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 t -161.67 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -98.84 -174.7 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.2 -29.05 18.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.45 -52.08 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -59.2 -34.81 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 46' ' ' PRO . 24.1 mt -76.98 -40.81 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -73.31 -12.08 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -75.22 -40.67 58.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 9.5 mt -64.85 -44.29 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.2 mt -51.47 -55.58 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -37.03 65.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.758 ' CD1' HD12 ' A' ' 35' ' ' LEU . 15.9 tp -68.14 -63.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -53.51 -24.2 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -67.19 -41.03 86.57 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' LEU . 5.9 mm-40 -54.49 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.0 tt0 -38.73 -46.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' GLU . 41.4 m-70 -39.92 -42.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 29' ' ' LEU . 12.7 mt -88.08 -73.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 66.07 57.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -80.25 163.77 23.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -117.81 130.26 56.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 26' ' ' LEU . 22.9 m-85 -97.46 129.65 44.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 21.8 m0 -70.45 -65.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.037 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.21 108.83 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 p -39.57 104.41 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.36 8.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 23' ' ' ILE . 1.4 m -42.02 -31.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 11.6 p -127.16 152.29 75.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.383 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' N ' HD11 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -43.79 3.28 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -88.04 101.04 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 16' ' ' VAL . 80.6 p -50.89 162.0 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 51' ' ' HIS . . . -118.34 156.66 28.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.583 1.177 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -150.18 95.49 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.51 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.36 143.3 18.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -83.08 83.21 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.734 ' CG2' HG21 ' A' ' 62' ' ' VAL . 13.5 p -76.14 141.38 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 122.78 7.42 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.452 1.764 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 59' ' ' VAL . 1.4 t80 -38.51 -32.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -69.32 -51.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.529 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 4.0 t30 -89.72 14.76 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -58.07 -52.18 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 tt0 -59.11 -53.09 62.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.215 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . . . -43.27 -45.71 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.734 HG21 ' CG2' ' A' ' 54' ' ' VAL . 84.8 t -71.0 -47.77 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -32.43 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLN . 4.7 t -74.78 -42.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 29' ' ' LEU . 32.0 t80 -55.87 -45.33 78.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.957 HD13 ' CG ' ' A' ' 73' ' ' TYR . 95.5 mt -58.73 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.13 -34.06 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 p -70.66 -42.88 70.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -80.66 9.41 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.41 53.29 24.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 66' ' ' LEU . 10.0 tt -112.64 173.42 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.33 119.43 28.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.957 ' CG ' HD13 ' A' ' 66' ' ' LEU . 2.5 p90 -131.9 -168.33 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 m -164.54 172.57 13.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.6 mt -99.29 126.71 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.7 tpt -98.53 -52.04 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' HA ' HD12 ' A' ' 77' ' ' ILE . 5.4 tp -143.36 135.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -123.09 -144.33 0.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.42 63.18 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 80' ' ' VAL . 4.1 p -74.11 106.4 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.958 . . . . . . . . 0 0 . 1 stop_ save_